smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205265176 918462568 /nfs/dbraw/zinc/46/25/68/918462568.db2.gz OAOHNFHGWSEHCR-CQSZACIVSA-N 2 1 250.342 1.801 20 10 CDCDMP [NH3+]CC1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001205054124 922147172 /nfs/dbraw/zinc/14/71/72/922147172.db2.gz XPGHSZQZOWSLQS-UHFFFAOYSA-N 2 1 256.296 1.841 20 10 CDCDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@H]2C1 ZINC001141162595 936823869 /nfs/dbraw/zinc/82/38/69/936823869.db2.gz WRSPDIQWWCWEOI-ZIAGYGMSSA-N 2 1 276.380 1.871 20 10 CDCDMP Cc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205688326 924477403 /nfs/dbraw/zinc/47/74/03/924477403.db2.gz FUSRVBXWCXXUEZ-OAHLLOKOSA-N 2 1 264.369 1.376 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC001205230167 939839398 /nfs/dbraw/zinc/83/93/98/939839398.db2.gz QUPFEQNHTCYCQC-AWEZNQCLSA-N 2 1 268.332 1.207 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001205241286 939841215 /nfs/dbraw/zinc/84/12/15/939841215.db2.gz SJWQGBZTICFOIK-AWEZNQCLSA-N 2 1 286.322 1.346 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001205241286 939841218 /nfs/dbraw/zinc/84/12/18/939841218.db2.gz SJWQGBZTICFOIK-AWEZNQCLSA-N 2 1 286.322 1.346 20 10 CDCDMP Cc1cc(C)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205688376 939920043 /nfs/dbraw/zinc/92/00/43/939920043.db2.gz GULVWXHVXKLVJJ-MRXNPFEDSA-N 2 1 278.396 1.685 20 10 CDCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001206362759 940026829 /nfs/dbraw/zinc/02/68/29/940026829.db2.gz QPRFOTGCRIRQKH-CQSZACIVSA-N 2 1 284.331 1.456 20 10 CDCDMP Cc1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235998861 944366833 /nfs/dbraw/zinc/36/68/33/944366833.db2.gz QKSFOPBYOZYKKC-PBWFPOADSA-N 2 1 262.353 1.106 20 10 CDCDMP Oc1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1O ZINC001256065893 948192517 /nfs/dbraw/zinc/19/25/17/948192517.db2.gz IHLPFTCKKYMTAC-MRXNPFEDSA-N 2 1 292.379 1.348 20 10 CDCDMP CC[N@@H+](Cc1ccccc1O)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246867101 948492466 /nfs/dbraw/zinc/49/24/66/948492466.db2.gz WTSXUYQCVLNUSB-AWEZNQCLSA-N 2 1 275.396 1.308 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[NH3+])c1 ZINC001345481639 964722524 /nfs/dbraw/zinc/72/25/24/964722524.db2.gz FNIBYDMLYLZFCG-SNVBAGLBSA-N 2 1 266.341 1.568 20 10 CDCDMP COc1ccc(C[NH2+]C[C@](C)(O)CN(C)C)cc1C ZINC000228722752 393234205 /nfs/dbraw/zinc/23/42/05/393234205.db2.gz CWTJIZKNASKZOP-HNNXBMFYSA-N 2 1 266.385 1.406 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCC[C@@H]1C[NH3+] ZINC001206026455 1162024704 /nfs/dbraw/zinc/02/47/04/1162024704.db2.gz SEHDFNWKJNHGSN-WDEREUQCSA-N 2 1 280.368 1.610 20 10 CDCDMP COc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649067 524752167 /nfs/dbraw/zinc/75/21/67/524752167.db2.gz QTYISILIWBTGKX-LBPRGKRZSA-N 2 1 276.380 1.975 20 10 CDCDMP COc1c(O)c(C[NH2+]CCCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000843129190 618693861 /nfs/dbraw/zinc/69/38/61/618693861.db2.gz NEBZORPXHXUCQC-UHFFFAOYSA-N 2 1 297.355 1.918 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000215995207 677802876 /nfs/dbraw/zinc/80/28/76/677802876.db2.gz YYZWETPHPQILNP-QWRGUYRKSA-N 2 1 250.342 1.570 20 10 CDCDMP Oc1cccc(Cl)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000128343916 677842531 /nfs/dbraw/zinc/84/25/31/677842531.db2.gz OQTFDKYTENSPBV-NXEZZACHSA-N 2 1 252.745 1.697 20 10 CDCDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1O ZINC000702636417 678409485 /nfs/dbraw/zinc/40/94/85/678409485.db2.gz MLGNNQPIQRSVOU-UKRRQHHQSA-N 2 1 264.369 1.500 20 10 CDCDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1O ZINC000702636417 678409490 /nfs/dbraw/zinc/40/94/90/678409490.db2.gz MLGNNQPIQRSVOU-UKRRQHHQSA-N 2 1 264.369 1.500 20 10 CDCDMP COc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1C ZINC000788431539 678718096 /nfs/dbraw/zinc/71/80/96/678718096.db2.gz KDCAOAGNDJSJGP-UHFFFAOYSA-N 2 1 292.423 1.940 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000843127818 678979124 /nfs/dbraw/zinc/97/91/24/678979124.db2.gz TXVPBGCZLMFSBW-SWLSCSKDSA-N 2 1 276.380 1.975 20 10 CDCDMP COc1cccc(O)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127744 679642524 /nfs/dbraw/zinc/64/25/24/679642524.db2.gz SXXMIESPAOAYDT-DGCLKSJQSA-N 2 1 262.353 1.585 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127744 679642525 /nfs/dbraw/zinc/64/25/25/679642525.db2.gz SXXMIESPAOAYDT-DGCLKSJQSA-N 2 1 262.353 1.585 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(O)cc1O ZINC001205281276 918663389 /nfs/dbraw/zinc/66/33/89/918663389.db2.gz RJAKJKRZKBQIGW-OAHLLOKOSA-N 2 1 280.368 1.810 20 10 CDCDMP CC[NH+](CC)C[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC001253187856 929906873 /nfs/dbraw/zinc/90/68/73/929906873.db2.gz JZTZAVPUXRSOBR-CQSZACIVSA-N 2 1 266.385 1.527 20 10 CDCDMP CC[NH+](CC)C[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC001253187856 929906878 /nfs/dbraw/zinc/90/68/78/929906878.db2.gz JZTZAVPUXRSOBR-CQSZACIVSA-N 2 1 266.385 1.527 20 10 CDCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205546024 939900751 /nfs/dbraw/zinc/90/07/51/939900751.db2.gz PAAGYUXSKPQBJV-CQSZACIVSA-N 2 1 268.332 1.751 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2ccccc21 ZINC001206464550 940043357 /nfs/dbraw/zinc/04/33/57/940043357.db2.gz QCCCBKMPVFTBFA-KBXCAEBGSA-N 2 1 299.418 1.657 20 10 CDCDMP Oc1ccc2ccccc2c1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235058992 944033090 /nfs/dbraw/zinc/03/30/90/944033090.db2.gz BPNXDIAUGIIJGM-SFHVURJKSA-N 2 1 297.402 1.683 20 10 CDCDMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC001261424577 946112507 /nfs/dbraw/zinc/11/25/07/946112507.db2.gz XYBLHXLNGXNJPO-QWRGUYRKSA-N 2 1 280.368 1.827 20 10 CDCDMP C[N@@H+](Cc1ccccc1O)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253394137 951877911 /nfs/dbraw/zinc/87/79/11/951877911.db2.gz HGAGYGPORHZQGO-CYBMUJFWSA-N 2 1 266.385 1.573 20 10 CDCDMP C[N@H+](Cc1ccccc1O)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253394137 951877915 /nfs/dbraw/zinc/87/79/15/951877915.db2.gz HGAGYGPORHZQGO-CYBMUJFWSA-N 2 1 266.385 1.573 20 10 CDCDMP Cc1cc(O)c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1C ZINC000841101503 618682985 /nfs/dbraw/zinc/68/29/85/618682985.db2.gz WGOOJFZFFTYSSY-AWEZNQCLSA-N 2 1 264.369 1.559 20 10 CDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843058706 618691778 /nfs/dbraw/zinc/69/17/78/618691778.db2.gz WVENNANUNGTFAJ-GDBMZVCRSA-N 2 1 289.423 1.692 20 10 CDCDMP COc1cccc(C[NH2+][C@H](C[NH3+])CC(C)C)c1O ZINC000841038892 621532104 /nfs/dbraw/zinc/53/21/04/621532104.db2.gz TXKDHTMSIWHHRE-LBPRGKRZSA-N 2 1 252.358 1.864 20 10 CDCDMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000250504249 679780799 /nfs/dbraw/zinc/78/07/99/679780799.db2.gz CCNKSURQSBEUHJ-NEPJUHHUSA-N 2 1 264.369 1.960 20 10 CDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)OCO2 ZINC000843120429 681901609 /nfs/dbraw/zinc/90/16/09/681901609.db2.gz KMSFNPDKCZZYBL-OAHLLOKOSA-N 2 1 276.336 1.306 20 10 CDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@]3(CC[NH2+]C3)C1)OCO2 ZINC000843120429 681901619 /nfs/dbraw/zinc/90/16/19/681901619.db2.gz KMSFNPDKCZZYBL-OAHLLOKOSA-N 2 1 276.336 1.306 20 10 CDCDMP Cc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(O)c1 ZINC000876966522 683836577 /nfs/dbraw/zinc/83/65/77/683836577.db2.gz SNUNITMQCWRJHJ-UHFFFAOYSA-N 2 1 278.396 1.637 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c1 ZINC000873258603 683936695 /nfs/dbraw/zinc/93/66/95/683936695.db2.gz SESVYALTGJQADY-CKYFFXLPSA-N 2 1 278.352 1.567 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CN)c1 ZINC000070175457 684266636 /nfs/dbraw/zinc/26/66/36/684266636.db2.gz KIRIKKWBIQMVND-BXUZGUMPSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2CN)c1 ZINC000070175457 684266639 /nfs/dbraw/zinc/26/66/39/684266639.db2.gz KIRIKKWBIQMVND-BXUZGUMPSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cccc(O)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127749 684298067 /nfs/dbraw/zinc/29/80/67/684298067.db2.gz SXXMIESPAOAYDT-YPMHNXCESA-N 2 1 262.353 1.585 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127749 684298073 /nfs/dbraw/zinc/29/80/73/684298073.db2.gz SXXMIESPAOAYDT-YPMHNXCESA-N 2 1 262.353 1.585 20 10 CDCDMP COC[C@@H]1CC[N@@H+]1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261297 936612018 /nfs/dbraw/zinc/61/20/18/936612018.db2.gz YFDNCRXTFPYKGW-AWEZNQCLSA-N 2 1 294.395 1.683 20 10 CDCDMP COC[C@@H]1CC[N@H+]1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261297 936612020 /nfs/dbraw/zinc/61/20/20/936612020.db2.gz YFDNCRXTFPYKGW-AWEZNQCLSA-N 2 1 294.395 1.683 20 10 CDCDMP COc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(O)c1 ZINC001203628578 939698075 /nfs/dbraw/zinc/69/80/75/939698075.db2.gz CXUQEFLSMUAGPG-UHFFFAOYSA-N 2 1 293.411 1.080 20 10 CDCDMP Cc1c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c2ccccc2n1C ZINC001234981803 943994002 /nfs/dbraw/zinc/99/40/02/943994002.db2.gz LNDYNSDYXVGNPU-GOSISDBHSA-N 2 1 298.434 1.624 20 10 CDCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC[NH2+]CCC1 ZINC001236239045 944434703 /nfs/dbraw/zinc/43/47/03/944434703.db2.gz CUUBDMQDVZMESK-UHFFFAOYSA-N 2 1 288.439 1.282 20 10 CDCDMP CN1CCN(c2ccc(C[N@@H+](C)CCC[NH3+])cc2F)CC1 ZINC001327819424 955061645 /nfs/dbraw/zinc/06/16/45/955061645.db2.gz RPBJRSBOKMTVEW-UHFFFAOYSA-N 2 1 294.418 1.358 20 10 CDCDMP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(O)c1OC ZINC000892251618 617579504 /nfs/dbraw/zinc/57/95/04/617579504.db2.gz JRIHNQTZZXFBEG-TXEJJXNPSA-N 2 1 278.352 1.061 20 10 CDCDMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(O)c1OC ZINC000892251618 617579507 /nfs/dbraw/zinc/57/95/07/617579507.db2.gz JRIHNQTZZXFBEG-TXEJJXNPSA-N 2 1 278.352 1.061 20 10 CDCDMP COc1c(O)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057111 618691096 /nfs/dbraw/zinc/69/10/96/618691096.db2.gz BEYFKKPAIHRKSQ-VHSXEESVSA-N 2 1 295.339 1.478 20 10 CDCDMP COc1c(O)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057111 618691100 /nfs/dbraw/zinc/69/11/00/618691100.db2.gz BEYFKKPAIHRKSQ-VHSXEESVSA-N 2 1 295.339 1.478 20 10 CDCDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843129989 618694252 /nfs/dbraw/zinc/69/42/52/618694252.db2.gz WIBRDMHGHYFHOL-CABCVRRESA-N 2 1 290.455 1.654 20 10 CDCDMP COc1cccc(O)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895299027 619528274 /nfs/dbraw/zinc/52/82/74/619528274.db2.gz FREPZPKGVZJQEE-NSHDSACASA-N 2 1 252.358 1.831 20 10 CDCDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841038450 685462839 /nfs/dbraw/zinc/46/28/39/685462839.db2.gz JPEWOLQCJLLWOX-NSHDSACASA-N 2 1 266.341 1.584 20 10 CDCDMP COc1cccc(O)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000843056473 684332858 /nfs/dbraw/zinc/33/28/58/684332858.db2.gz LPARNMOFCGICNP-UHFFFAOYSA-N 2 1 252.358 1.818 20 10 CDCDMP CC(C)([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841031536 684824026 /nfs/dbraw/zinc/82/40/26/684824026.db2.gz VEZXYPSXWNEHRO-UHFFFAOYSA-N 2 1 281.375 1.489 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(O)C3)cc2)CC1 ZINC000775734228 685042662 /nfs/dbraw/zinc/04/26/62/685042662.db2.gz MYVKIILVJXGMNQ-KRWDZBQOSA-N 2 1 289.423 1.395 20 10 CDCDMP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000219838971 687695800 /nfs/dbraw/zinc/69/58/00/687695800.db2.gz DIVZZHPTMGTMKB-SECBINFHSA-N 2 1 285.185 1.935 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)c(OC)c1 ZINC001205123542 913824804 /nfs/dbraw/zinc/82/48/04/913824804.db2.gz BYXSUANYDLXIRY-LBPRGKRZSA-N 2 1 280.368 1.723 20 10 CDCDMP COc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205064655 911869305 /nfs/dbraw/zinc/86/93/05/911869305.db2.gz USJZHJHLCXKMLL-JQWIXIFHSA-N 2 1 250.342 1.712 20 10 CDCDMP COc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205064655 911869313 /nfs/dbraw/zinc/86/93/13/911869313.db2.gz USJZHJHLCXKMLL-JQWIXIFHSA-N 2 1 250.342 1.712 20 10 CDCDMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140056024 936674440 /nfs/dbraw/zinc/67/44/40/936674440.db2.gz DXAQACOLOOCRCK-STQMWFEESA-N 2 1 264.344 1.915 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001169098644 927697154 /nfs/dbraw/zinc/69/71/54/927697154.db2.gz KHKOEORYRMUKFS-ZSOGYDGISA-N 2 1 276.380 1.855 20 10 CDCDMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001206640931 937282486 /nfs/dbraw/zinc/28/24/86/937282486.db2.gz PNORWYVEHZZGMF-GFCCVEGCSA-N 2 1 294.395 1.970 20 10 CDCDMP CCc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205726225 939927540 /nfs/dbraw/zinc/92/75/40/939927540.db2.gz RHRXRTQIVGEZHN-MRXNPFEDSA-N 2 1 278.396 1.630 20 10 CDCDMP C[NH2+]C[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001333692306 958519549 /nfs/dbraw/zinc/51/95/49/958519549.db2.gz JUBPGRJMMHDNKQ-ZDUSSCGKSA-N 2 1 294.418 1.275 20 10 CDCDMP C[N@@H+]1CC=C(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000271832811 371081546 /nfs/dbraw/zinc/08/15/46/371081546.db2.gz PENMZJOBTPYGBC-UHFFFAOYSA-N 2 1 276.336 1.472 20 10 CDCDMP CN(CCC[N@@H+](C)Cc1ccccc1O)CC[NH+](C)C ZINC000290283216 524061475 /nfs/dbraw/zinc/06/14/75/524061475.db2.gz ZJLJNPOJZKOXKY-UHFFFAOYSA-N 2 1 279.428 1.708 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843058453 618691732 /nfs/dbraw/zinc/69/17/32/618691732.db2.gz SMLPCBGVLFIBFW-MNOVXSKESA-N 2 1 250.342 1.570 20 10 CDCDMP COc1c(O)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843129943 618694454 /nfs/dbraw/zinc/69/44/54/618694454.db2.gz VBENRVGXXFJTRZ-IUCAKERBSA-N 2 1 283.328 1.524 20 10 CDCDMP c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077468 626046920 /nfs/dbraw/zinc/04/69/20/626046920.db2.gz MRDAAUXHMQMBFN-FVQHAEBGSA-N 2 1 271.408 1.984 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)c(O)c1 ZINC000843052534 688379733 /nfs/dbraw/zinc/37/97/33/688379733.db2.gz NCNMHGNNEZAAET-GFCCVEGCSA-N 2 1 264.369 1.832 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000817969588 688627924 /nfs/dbraw/zinc/62/79/24/688627924.db2.gz XVNCDPZIMIPTTI-WCQYABFASA-N 2 1 292.379 1.972 20 10 CDCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843051079 688711910 /nfs/dbraw/zinc/71/19/10/688711910.db2.gz DHWMANPGQLNWPL-QWRGUYRKSA-N 2 1 278.352 1.680 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000817983133 692347117 /nfs/dbraw/zinc/34/71/17/692347117.db2.gz YSUYMGJJQROBHO-GMXVVIOVSA-N 2 1 292.379 1.957 20 10 CDCDMP CN(C)c1ccc(/C=C\C[NH2+]C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001578425864 1171905441 /nfs/dbraw/zinc/90/54/41/1171905441.db2.gz PPCYEJATVQIHQD-QGZUEGPWSA-N 2 1 275.396 1.080 20 10 CDCDMP COc1ccc(N(C)CC[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000844902292 723666786 /nfs/dbraw/zinc/66/67/86/723666786.db2.gz OUVCWELJCGNATH-UHFFFAOYSA-N 2 1 265.401 1.801 20 10 CDCDMP COc1ccc(N(C)CC[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000844902292 723666789 /nfs/dbraw/zinc/66/67/89/723666789.db2.gz OUVCWELJCGNATH-UHFFFAOYSA-N 2 1 265.401 1.801 20 10 CDCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000386482254 936631584 /nfs/dbraw/zinc/63/15/84/936631584.db2.gz INJSJFVKZOEIPW-GXFFZTMASA-N 2 1 250.317 1.715 20 10 CDCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000386482254 936631585 /nfs/dbraw/zinc/63/15/85/936631585.db2.gz INJSJFVKZOEIPW-GXFFZTMASA-N 2 1 250.317 1.715 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(O)c1O ZINC001205603353 923150742 /nfs/dbraw/zinc/15/07/42/923150742.db2.gz OKIXZIQASBFZBJ-YPMHNXCESA-N 2 1 294.395 1.913 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205725729 924719197 /nfs/dbraw/zinc/71/91/97/924719197.db2.gz KUNFTLONIMHJQD-INIZCTEOSA-N 2 1 294.395 1.385 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CCC[C@@H]1C[NH3+] ZINC001206012177 928114082 /nfs/dbraw/zinc/11/40/82/928114082.db2.gz JDFOMIIOOWPSPC-CMPLNLGQSA-N 2 1 280.368 1.610 20 10 CDCDMP Nc1ccc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)cc1 ZINC001162786157 939138614 /nfs/dbraw/zinc/13/86/14/939138614.db2.gz RDUQSPXQOKLPGS-UHFFFAOYSA-N 2 1 298.394 1.598 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205663292 939913519 /nfs/dbraw/zinc/91/35/19/939913519.db2.gz HECUGVXPMHQZGC-HNNXBMFYSA-N 2 1 280.368 1.077 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206156321 939987675 /nfs/dbraw/zinc/98/76/75/939987675.db2.gz QCEDAGXYLDXWET-CHWSQXEVSA-N 2 1 268.332 1.662 20 10 CDCDMP Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206183064 939992781 /nfs/dbraw/zinc/99/27/81/939992781.db2.gz FETYTILFGQIPHI-OLZOCXBDSA-N 2 1 252.333 1.962 20 10 CDCDMP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C)c3O)C[C@@H]2C1 ZINC001231593807 942939118 /nfs/dbraw/zinc/93/91/18/942939118.db2.gz UXMDJJJMCXOKTI-JKSUJKDBSA-N 2 1 290.407 1.853 20 10 CDCDMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C)c3O)C[C@@H]2C1 ZINC001231593807 942939125 /nfs/dbraw/zinc/93/91/25/942939125.db2.gz UXMDJJJMCXOKTI-JKSUJKDBSA-N 2 1 290.407 1.853 20 10 CDCDMP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(C)c3O)C[C@@H]2C1 ZINC001231593807 942939130 /nfs/dbraw/zinc/93/91/30/942939130.db2.gz UXMDJJJMCXOKTI-JKSUJKDBSA-N 2 1 290.407 1.853 20 10 CDCDMP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(C)c3O)C[C@@H]2C1 ZINC001231593807 942939136 /nfs/dbraw/zinc/93/91/36/942939136.db2.gz UXMDJJJMCXOKTI-JKSUJKDBSA-N 2 1 290.407 1.853 20 10 CDCDMP CN(C)c1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC001232834098 943413348 /nfs/dbraw/zinc/41/33/48/943413348.db2.gz GKRVFNQXQJSVCA-UHFFFAOYSA-N 2 1 277.412 1.984 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC001232834098 943413349 /nfs/dbraw/zinc/41/33/49/943413349.db2.gz GKRVFNQXQJSVCA-UHFFFAOYSA-N 2 1 277.412 1.984 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237379311 944738709 /nfs/dbraw/zinc/73/87/09/944738709.db2.gz ATTXYVZFNJJLSY-IUODEOHRSA-N 2 1 276.380 1.975 20 10 CDCDMP COc1cccc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000272539167 263006120 /nfs/dbraw/zinc/00/61/20/263006120.db2.gz BWNPYRFSHRAYFB-TZMCWYRMSA-N 2 1 276.380 1.927 20 10 CDCDMP COc1cccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000272539167 263006121 /nfs/dbraw/zinc/00/61/21/263006121.db2.gz BWNPYRFSHRAYFB-TZMCWYRMSA-N 2 1 276.380 1.927 20 10 CDCDMP COc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000843057854 618691760 /nfs/dbraw/zinc/69/17/60/618691760.db2.gz MNFMNHSFAJHDEH-MNOVXSKESA-N 2 1 280.368 1.579 20 10 CDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)OCO2 ZINC000843128932 618693847 /nfs/dbraw/zinc/69/38/47/618693847.db2.gz ZRLQEBLDJUZNLA-CMPLNLGQSA-N 2 1 276.336 1.305 20 10 CDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)OCO2 ZINC000843128932 618693848 /nfs/dbraw/zinc/69/38/48/618693848.db2.gz ZRLQEBLDJUZNLA-CMPLNLGQSA-N 2 1 276.336 1.305 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000050245079 695403804 /nfs/dbraw/zinc/40/38/04/695403804.db2.gz DYIBZIQQZSGJPE-NSHDSACASA-N 2 1 250.342 1.572 20 10 CDCDMP Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320076 695429188 /nfs/dbraw/zinc/42/91/88/695429188.db2.gz JDOGFVMHDJHUKM-PHIMTYICSA-N 2 1 252.745 1.697 20 10 CDCDMP Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320076 695429192 /nfs/dbraw/zinc/42/91/92/695429192.db2.gz JDOGFVMHDJHUKM-PHIMTYICSA-N 2 1 252.745 1.697 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000702575096 695941069 /nfs/dbraw/zinc/94/10/69/695941069.db2.gz VWCYAEMCJLBLRY-XHDPSFHLSA-N 2 1 280.368 1.118 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000702575096 695941072 /nfs/dbraw/zinc/94/10/72/695941072.db2.gz VWCYAEMCJLBLRY-XHDPSFHLSA-N 2 1 280.368 1.118 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000846704189 696142519 /nfs/dbraw/zinc/14/25/19/696142519.db2.gz SEBVHONTJIRYEI-JQWIXIFHSA-N 2 1 280.368 1.721 20 10 CDCDMP COc1ccc(N2CCC([NH2+][C@H](C)C[NH3+])CC2)cc1 ZINC000841060851 723731637 /nfs/dbraw/zinc/73/16/37/723731637.db2.gz RAMYIYWFMODXJR-GFCCVEGCSA-N 2 1 263.385 1.601 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1O ZINC000310989445 723758478 /nfs/dbraw/zinc/75/84/78/723758478.db2.gz HKNBVBFOEXZBSV-AWEZNQCLSA-N 2 1 250.342 1.572 20 10 CDCDMP COc1c([O-])c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052044 724800267 /nfs/dbraw/zinc/80/02/67/724800267.db2.gz PAGJPOKFCZGIDL-GXSJLCMTSA-N 2 1 295.339 1.478 20 10 CDCDMP CCOc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000090320348 725140444 /nfs/dbraw/zinc/14/04/44/725140444.db2.gz AUKZNPDPKGIWTR-BETUJISGSA-N 2 1 262.353 1.442 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000843127816 725257121 /nfs/dbraw/zinc/25/71/21/725257121.db2.gz TXVPBGCZLMFSBW-IUODEOHRSA-N 2 1 276.380 1.975 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171744 725334495 /nfs/dbraw/zinc/33/44/95/725334495.db2.gz FXMVBDOIIDMCQB-VXGBXAGGSA-N 2 1 264.369 1.960 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](F)C3)cc2)CC1 ZINC000824570284 725381642 /nfs/dbraw/zinc/38/16/42/725381642.db2.gz AULFPXXJOBGUOV-HNNXBMFYSA-N 2 1 277.387 1.982 20 10 CDCDMP COc1cc(C[N@H+](C)CCF)cc(C[NH+](C)C)c1O ZINC001139259774 936611709 /nfs/dbraw/zinc/61/17/09/936611709.db2.gz GXYZDTCIUMGXEP-UHFFFAOYSA-N 2 1 270.348 1.864 20 10 CDCDMP COc1cc(C[N@@H+](C)CCF)cc(C[NH+](C)C)c1O ZINC001139259774 936611710 /nfs/dbraw/zinc/61/17/10/936611710.db2.gz GXYZDTCIUMGXEP-UHFFFAOYSA-N 2 1 270.348 1.864 20 10 CDCDMP CN1CCN(c2ccc(C[N@H+]3CC[C@H](O)C3)cc2F)CC1 ZINC001116441039 937448836 /nfs/dbraw/zinc/44/88/36/937448836.db2.gz FNQYNIGAXMRVRZ-AWEZNQCLSA-N 2 1 293.386 1.144 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)C3)cc2F)CC1 ZINC001116441039 937448838 /nfs/dbraw/zinc/44/88/38/937448838.db2.gz FNQYNIGAXMRVRZ-AWEZNQCLSA-N 2 1 293.386 1.144 20 10 CDCDMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001205069412 939819955 /nfs/dbraw/zinc/81/99/55/939819955.db2.gz ZRASRIAHCAPCLW-YOEHRIQHSA-N 2 1 289.423 1.835 20 10 CDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001205069412 939819957 /nfs/dbraw/zinc/81/99/57/939819957.db2.gz ZRASRIAHCAPCLW-YOEHRIQHSA-N 2 1 289.423 1.835 20 10 CDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001205069412 939819959 /nfs/dbraw/zinc/81/99/59/939819959.db2.gz ZRASRIAHCAPCLW-YOEHRIQHSA-N 2 1 289.423 1.835 20 10 CDCDMP CC[C@@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235773303 944271136 /nfs/dbraw/zinc/27/11/36/944271136.db2.gz UJTULAINBPBCTH-MRXNPFEDSA-N 2 1 288.439 1.280 20 10 CDCDMP CC[C@@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235773303 944271142 /nfs/dbraw/zinc/27/11/42/944271142.db2.gz UJTULAINBPBCTH-MRXNPFEDSA-N 2 1 288.439 1.280 20 10 CDCDMP COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235998300 944367135 /nfs/dbraw/zinc/36/71/35/944367135.db2.gz YCHZSCNTASTYKX-CJNGLKHVSA-N 2 1 290.363 1.031 20 10 CDCDMP COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235998300 944367140 /nfs/dbraw/zinc/36/71/40/944367140.db2.gz YCHZSCNTASTYKX-CJNGLKHVSA-N 2 1 290.363 1.031 20 10 CDCDMP Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001236001477 944369494 /nfs/dbraw/zinc/36/94/94/944369494.db2.gz HSRHANGYTSRNEB-ONXXMXGDSA-N 2 1 296.798 1.760 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314465 944464140 /nfs/dbraw/zinc/46/41/40/944464140.db2.gz NLOOUOHYRWRULD-BETUJISGSA-N 2 1 276.380 1.832 20 10 CDCDMP C[C@H](O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001255242437 947789121 /nfs/dbraw/zinc/78/91/21/947789121.db2.gz HNNBXGWKYUGCQU-ZDUSSCGKSA-N 2 1 295.402 1.390 20 10 CDCDMP C[C@H](O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001255242437 947789124 /nfs/dbraw/zinc/78/91/24/947789124.db2.gz HNNBXGWKYUGCQU-ZDUSSCGKSA-N 2 1 295.402 1.390 20 10 CDCDMP C[NH2+]CC[C@@H](C)NCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246175551 948010814 /nfs/dbraw/zinc/01/08/14/948010814.db2.gz TZSOZTWFBJQTFH-CQSZACIVSA-N 2 1 276.428 1.184 20 10 CDCDMP Oc1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)OCO2 ZINC000112017224 526335894 /nfs/dbraw/zinc/33/58/94/526335894.db2.gz IKDXCZYCSUBXDV-QWHCGFSZSA-N 2 1 290.363 1.837 20 10 CDCDMP COc1ccc(O)c(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000094010987 1174457372 /nfs/dbraw/zinc/45/73/72/1174457372.db2.gz VDRSBZBUYJJDOE-UHFFFAOYSA-N 2 1 264.369 1.832 20 10 CDCDMP COC[C@]1(C[NH2+]Cc2cc(OC)ccc2O)CCC[NH2+]1 ZINC000841067085 618680216 /nfs/dbraw/zinc/68/02/16/618680216.db2.gz JRTGKJQOPLDUDJ-OAHLLOKOSA-N 2 1 280.368 1.259 20 10 CDCDMP Oc1cccc(Cl)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000128343683 726349734 /nfs/dbraw/zinc/34/97/34/726349734.db2.gz OQTFDKYTENSPBV-AOOOYVTPSA-N 2 1 252.745 1.697 20 10 CDCDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000042880358 726018498 /nfs/dbraw/zinc/01/84/98/726018498.db2.gz FTDKWEPVOMNWHK-GFCCVEGCSA-N 2 1 292.379 1.941 20 10 CDCDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000705720937 726265301 /nfs/dbraw/zinc/26/53/01/726265301.db2.gz ZEPNVOWINIKEHR-DOMZBBRYSA-N 2 1 262.353 1.036 20 10 CDCDMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000705720937 726265304 /nfs/dbraw/zinc/26/53/04/726265304.db2.gz ZEPNVOWINIKEHR-DOMZBBRYSA-N 2 1 262.353 1.036 20 10 CDCDMP C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000817942814 726910320 /nfs/dbraw/zinc/91/03/20/726910320.db2.gz RBLOPVPVWIDRSI-FRFSOERESA-N 2 1 290.455 1.825 20 10 CDCDMP C[NH2+]CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000841034847 727012189 /nfs/dbraw/zinc/01/21/89/727012189.db2.gz GEAYTFAZZWIUDI-UHFFFAOYSA-N 2 1 263.385 1.473 20 10 CDCDMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206174531 911907802 /nfs/dbraw/zinc/90/78/02/911907802.db2.gz NSFIMYWSHSQBIF-CHWSQXEVSA-N 2 1 252.333 1.962 20 10 CDCDMP COc1cc(C[NH+]2CCC(O)CC2)cc(C[NH+](C)C)c1O ZINC001139252922 936611335 /nfs/dbraw/zinc/61/13/35/936611335.db2.gz FNXHARSXUCXNNU-UHFFFAOYSA-N 2 1 294.395 1.419 20 10 CDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140749515 936749447 /nfs/dbraw/zinc/74/94/47/936749447.db2.gz CHMPXQPNXABBKZ-OKILXGFUSA-N 2 1 276.380 1.790 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140749515 936749448 /nfs/dbraw/zinc/74/94/48/936749448.db2.gz CHMPXQPNXABBKZ-OKILXGFUSA-N 2 1 276.380 1.790 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140749515 936749450 /nfs/dbraw/zinc/74/94/50/936749450.db2.gz CHMPXQPNXABBKZ-OKILXGFUSA-N 2 1 276.380 1.790 20 10 CDCDMP C[NH+]1CCN(c2ccc(CNC3CC[NH2+]CC3)cc2)CC1 ZINC000841026597 936971934 /nfs/dbraw/zinc/97/19/34/936971934.db2.gz KOGJDTYBBGCVOC-UHFFFAOYSA-N 2 1 288.439 1.280 20 10 CDCDMP CN(C)c1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000857782757 928749507 /nfs/dbraw/zinc/74/95/07/928749507.db2.gz CNDQSFBPVCXCTF-UHFFFAOYSA-N 2 1 276.359 1.958 20 10 CDCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001203552280 939692948 /nfs/dbraw/zinc/69/29/48/939692948.db2.gz HLDRKRQCAQBRPG-JKSUJKDBSA-N 2 1 289.423 1.602 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205110481 939824203 /nfs/dbraw/zinc/82/42/03/939824203.db2.gz TXQLCEIGIQLAHK-LBPRGKRZSA-N 2 1 250.342 1.719 20 10 CDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC001205952868 939960314 /nfs/dbraw/zinc/96/03/14/939960314.db2.gz CWWIPUQYOCBVIE-IAGOWNOFSA-N 2 1 289.423 1.571 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC001205952868 939960318 /nfs/dbraw/zinc/96/03/18/939960318.db2.gz CWWIPUQYOCBVIE-IAGOWNOFSA-N 2 1 289.423 1.571 20 10 CDCDMP Cc1cccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222099359 941564873 /nfs/dbraw/zinc/56/48/73/941564873.db2.gz CALXVESHCWUCQJ-UHFFFAOYSA-N 2 1 275.396 1.228 20 10 CDCDMP Oc1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)OCO2 ZINC000042880168 526337251 /nfs/dbraw/zinc/33/72/51/526337251.db2.gz YMAFTJDCYBECCO-LLVKDONJSA-N 2 1 290.363 1.695 20 10 CDCDMP CCOc1ccc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)c(O)c1 ZINC000841067223 618680137 /nfs/dbraw/zinc/68/01/37/618680137.db2.gz LHKKLPVKCOSEJR-MRXNPFEDSA-N 2 1 294.395 1.649 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1F ZINC000841087305 628430290 /nfs/dbraw/zinc/43/02/90/628430290.db2.gz UHSUHPCTTHZSAG-CYBMUJFWSA-N 2 1 281.375 1.360 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC2(CC[NH2+]CC2)O1 ZINC001576807674 1171527154 /nfs/dbraw/zinc/52/71/54/1171527154.db2.gz UQRSBTTVLZFBOH-GFCCVEGCSA-N 2 1 294.370 1.874 20 10 CDCDMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817943232 728958476 /nfs/dbraw/zinc/95/84/76/728958476.db2.gz LODWRZNKLKOMBG-NSHDSACASA-N 2 1 280.368 1.829 20 10 CDCDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1O ZINC000702636415 728923857 /nfs/dbraw/zinc/92/38/57/728923857.db2.gz MLGNNQPIQRSVOU-HIFRSBDPSA-N 2 1 264.369 1.500 20 10 CDCDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1O ZINC000702636415 728923859 /nfs/dbraw/zinc/92/38/59/728923859.db2.gz MLGNNQPIQRSVOU-HIFRSBDPSA-N 2 1 264.369 1.500 20 10 CDCDMP CCOc1ccc(C[N@H+](C)CC(C)(C)[NH3+])c(O)c1 ZINC000849350786 728385480 /nfs/dbraw/zinc/38/54/80/728385480.db2.gz WIEMZHOFWUZWKF-UHFFFAOYSA-N 2 1 252.358 1.960 20 10 CDCDMP CCOc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])c(O)c1 ZINC000849350786 728385485 /nfs/dbraw/zinc/38/54/85/728385485.db2.gz WIEMZHOFWUZWKF-UHFFFAOYSA-N 2 1 252.358 1.960 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CC(C)(O)C3)cc2)CC1 ZINC000877581302 728529596 /nfs/dbraw/zinc/52/95/96/728529596.db2.gz VXHYEJHUVORSGM-UHFFFAOYSA-N 2 1 275.396 1.005 20 10 CDCDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841028861 729332380 /nfs/dbraw/zinc/33/23/80/729332380.db2.gz JCAQTZBDSRCLKT-ZDUSSCGKSA-N 2 1 253.365 1.965 20 10 CDCDMP CCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)c(O)c1 ZINC000843044648 729888422 /nfs/dbraw/zinc/88/84/22/729888422.db2.gz DLQUESSRLYGDET-UHFFFAOYSA-N 2 1 264.369 1.975 20 10 CDCDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280529 730015231 /nfs/dbraw/zinc/01/52/31/730015231.db2.gz PASSGDXKZWULCZ-OAHLLOKOSA-N 2 1 292.427 1.209 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000843052775 730291702 /nfs/dbraw/zinc/29/17/02/730291702.db2.gz WEAVCUZHBYPHHW-NEPJUHHUSA-N 2 1 264.369 1.960 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000380219505 730395503 /nfs/dbraw/zinc/39/55/03/730395503.db2.gz IXENCAHGHKMQQI-HNNXBMFYSA-N 2 1 275.396 1.180 20 10 CDCDMP Cc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1N(C)C ZINC001205221640 919178839 /nfs/dbraw/zinc/17/88/39/919178839.db2.gz UUUOVFCZYXDNBN-QGZVFWFLSA-N 2 1 291.439 1.737 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205229753 919227511 /nfs/dbraw/zinc/22/75/11/919227511.db2.gz OWLRHDSQPLJILR-HNNXBMFYSA-N 2 1 264.369 1.376 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205725730 924719283 /nfs/dbraw/zinc/71/92/83/924719283.db2.gz KUNFTLONIMHJQD-MRXNPFEDSA-N 2 1 294.395 1.385 20 10 CDCDMP COc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2CN)c1O ZINC001205802131 925078632 /nfs/dbraw/zinc/07/86/32/925078632.db2.gz AARAAIJJFFRHEW-WCQYABFASA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H](C)CC[C@@H]2CN)c1O ZINC001205802131 925078640 /nfs/dbraw/zinc/07/86/40/925078640.db2.gz AARAAIJJFFRHEW-WCQYABFASA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cc(O)c(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000843046136 937106243 /nfs/dbraw/zinc/10/62/43/937106243.db2.gz OGNQKUCBBMYUST-UHFFFAOYSA-N 2 1 280.368 1.593 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000843116250 937113847 /nfs/dbraw/zinc/11/38/47/937113847.db2.gz KAZPMHHCGGMJDS-OAHLLOKOSA-N 2 1 264.369 1.962 20 10 CDCDMP Cc1cc(O)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000843123642 937114039 /nfs/dbraw/zinc/11/40/39/937114039.db2.gz UCVXPVKFIAVALC-INIZCTEOSA-N 2 1 289.423 1.489 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001205229851 939840007 /nfs/dbraw/zinc/84/00/07/939840007.db2.gz PVDXTSQQKVPGJF-AWEZNQCLSA-N 2 1 284.787 1.721 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCC[C@@H]1C[NH3+] ZINC001206026450 939968971 /nfs/dbraw/zinc/96/89/71/939968971.db2.gz SEHDFNWKJNHGSN-GHMZBOCLSA-N 2 1 280.368 1.610 20 10 CDCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001206623579 940073672 /nfs/dbraw/zinc/07/36/72/940073672.db2.gz NGBLLWCKDOBCTR-LLVKDONJSA-N 2 1 250.342 1.659 20 10 CDCDMP [O-]c1cccc(F)c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222090769 941562614 /nfs/dbraw/zinc/56/26/14/941562614.db2.gz JWKJCYZMVUQBRH-UHFFFAOYSA-N 2 1 279.359 1.059 20 10 CDCDMP Oc1cccc(F)c1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222090769 941562616 /nfs/dbraw/zinc/56/26/16/941562616.db2.gz JWKJCYZMVUQBRH-UHFFFAOYSA-N 2 1 279.359 1.059 20 10 CDCDMP Oc1cccc(F)c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222090769 941562619 /nfs/dbraw/zinc/56/26/19/941562619.db2.gz JWKJCYZMVUQBRH-UHFFFAOYSA-N 2 1 279.359 1.059 20 10 CDCDMP Oc1ccc(Cl)cc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492519 941602222 /nfs/dbraw/zinc/60/22/22/941602222.db2.gz ZFLIQWFLNCJSNB-KBPBESRZSA-N 2 1 295.814 1.571 20 10 CDCDMP Cn1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1=O ZINC001240985316 946128774 /nfs/dbraw/zinc/12/87/74/946128774.db2.gz AROXUMIHKKOQAV-UHFFFAOYSA-N 2 1 280.331 1.387 20 10 CDCDMP CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000762570001 576655038 /nfs/dbraw/zinc/65/50/38/576655038.db2.gz VPSTWTOAJAQGJU-KRWDZBQOSA-N 2 1 291.439 1.689 20 10 CDCDMP CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762570001 576655040 /nfs/dbraw/zinc/65/50/40/576655040.db2.gz VPSTWTOAJAQGJU-KRWDZBQOSA-N 2 1 291.439 1.689 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000312074873 731220485 /nfs/dbraw/zinc/22/04/85/731220485.db2.gz JCIRISZGLDBBSY-HOCLYGCPSA-N 2 1 259.397 1.936 20 10 CDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843057012 731845179 /nfs/dbraw/zinc/84/51/79/731845179.db2.gz FERAKTLXGSZXRH-VHSXEESVSA-N 2 1 264.325 1.290 20 10 CDCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000702566582 731917198 /nfs/dbraw/zinc/91/71/98/731917198.db2.gz JWVHRPAEGDBOGW-CZUORRHYSA-N 2 1 277.412 1.470 20 10 CDCDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843056794 731927953 /nfs/dbraw/zinc/92/79/53/731927953.db2.gz AEMIBZTVUVKROJ-HOCLYGCPSA-N 2 1 289.423 1.692 20 10 CDCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000386482249 732399212 /nfs/dbraw/zinc/39/92/12/732399212.db2.gz INJSJFVKZOEIPW-GWCFXTLKSA-N 2 1 250.317 1.715 20 10 CDCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000386482249 732399216 /nfs/dbraw/zinc/39/92/16/732399216.db2.gz INJSJFVKZOEIPW-GWCFXTLKSA-N 2 1 250.317 1.715 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843051936 732456294 /nfs/dbraw/zinc/45/62/94/732456294.db2.gz MYFNSAYZHWWWLZ-JQWIXIFHSA-N 2 1 250.342 1.570 20 10 CDCDMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817942269 732470232 /nfs/dbraw/zinc/47/02/32/732470232.db2.gz ZSGOIUYVBPUFMN-JTQLQIEISA-N 2 1 266.341 1.439 20 10 CDCDMP CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)CC[C@H]1[NH3+] ZINC000843052846 732874608 /nfs/dbraw/zinc/87/46/08/732874608.db2.gz VRXPTDUUZLXAMP-DGCLKSJQSA-N 2 1 294.395 1.969 20 10 CDCDMP CN1CCOc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc21 ZINC001141143999 899789316 /nfs/dbraw/zinc/78/93/16/899789316.db2.gz RSCOLSUFVPWGTC-GASCZTMLSA-N 2 1 287.407 1.509 20 10 CDCDMP CN1CCOc2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc21 ZINC001141143999 899789320 /nfs/dbraw/zinc/78/93/20/899789320.db2.gz RSCOLSUFVPWGTC-GASCZTMLSA-N 2 1 287.407 1.509 20 10 CDCDMP CN1CCOc2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)ccc21 ZINC001141143999 899789326 /nfs/dbraw/zinc/78/93/26/899789326.db2.gz RSCOLSUFVPWGTC-GASCZTMLSA-N 2 1 287.407 1.509 20 10 CDCDMP CN1CCOc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)ccc21 ZINC001141143999 899789331 /nfs/dbraw/zinc/78/93/31/899789331.db2.gz RSCOLSUFVPWGTC-GASCZTMLSA-N 2 1 287.407 1.509 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC001205220470 939837870 /nfs/dbraw/zinc/83/78/70/939837870.db2.gz KLSKKDFXILCBRI-CQSZACIVSA-N 2 1 268.332 1.207 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001205220470 939837873 /nfs/dbraw/zinc/83/78/73/939837873.db2.gz KLSKKDFXILCBRI-CQSZACIVSA-N 2 1 268.332 1.207 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(O)cc1O ZINC001205639296 939910974 /nfs/dbraw/zinc/91/09/74/939910974.db2.gz YRNJXWIWUMGZKH-NEPJUHHUSA-N 2 1 294.395 1.913 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206156323 939987807 /nfs/dbraw/zinc/98/78/07/939987807.db2.gz QCEDAGXYLDXWET-OLZOCXBDSA-N 2 1 268.332 1.662 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206200119 939997419 /nfs/dbraw/zinc/99/74/19/939997419.db2.gz QIOPPGWQUWIHJQ-NWDGAFQWSA-N 2 1 298.358 1.671 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)C[C@H]1O ZINC001206481012 940046665 /nfs/dbraw/zinc/04/66/65/940046665.db2.gz PBXVQRKPBCXUKO-GOEBONIOSA-N 2 1 272.348 1.297 20 10 CDCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(O)c1 ZINC001236322137 944470016 /nfs/dbraw/zinc/47/00/16/944470016.db2.gz QUKQHJBRLUNEDL-OKILXGFUSA-N 2 1 289.423 1.890 20 10 CDCDMP CC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000038098021 174112309 /nfs/dbraw/zinc/11/23/09/174112309.db2.gz JNAPEIKNKOVKHS-UHFFFAOYSA-N 2 1 264.369 1.975 20 10 CDCDMP [NH3+]C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000843047714 735335618 /nfs/dbraw/zinc/33/56/18/735335618.db2.gz XLKBRLJVGRUGLW-UHFFFAOYSA-N 2 1 250.298 1.044 20 10 CDCDMP [NH3+][C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841051858 735346765 /nfs/dbraw/zinc/34/67/65/735346765.db2.gz ZNCQRYBWOCRLAA-HNNXBMFYSA-N 2 1 293.386 1.489 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000817960403 733176313 /nfs/dbraw/zinc/17/63/13/733176313.db2.gz MUSNBVPGYOBWCC-TVQRCGJNSA-N 2 1 250.342 1.789 20 10 CDCDMP COc1ccc(N(C)CC[N@@H+](C)CCOCC[NH3+])cc1 ZINC000846224952 734009692 /nfs/dbraw/zinc/00/96/92/734009692.db2.gz FILJSBQDABADJD-UHFFFAOYSA-N 2 1 281.400 1.039 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000843048551 734434481 /nfs/dbraw/zinc/43/44/81/734434481.db2.gz GYHXHJUVQYVOFY-NSHDSACASA-N 2 1 250.342 1.572 20 10 CDCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000717354932 734528011 /nfs/dbraw/zinc/52/80/11/734528011.db2.gz RNCIQEAZWWPKFZ-VXGBXAGGSA-N 2 1 252.358 1.274 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000843052442 734908072 /nfs/dbraw/zinc/90/80/72/734908072.db2.gz UDJWKNBGRRPBPM-RISCZKNCSA-N 2 1 264.369 1.960 20 10 CDCDMP Cc1cc(Br)c(O)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841078534 735642870 /nfs/dbraw/zinc/64/28/70/735642870.db2.gz UNKNRGHKRVDREA-IAZYJMLFSA-N 2 1 297.196 1.771 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841086410 735876865 /nfs/dbraw/zinc/87/68/65/735876865.db2.gz NLIWYZXNQGXHNI-INIZCTEOSA-N 2 1 277.412 1.529 20 10 CDCDMP COCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876986638 736000131 /nfs/dbraw/zinc/00/01/31/736000131.db2.gz JNYBRRSNQMXHLR-UHFFFAOYSA-N 2 1 278.396 1.901 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205095170 913399008 /nfs/dbraw/zinc/39/90/08/913399008.db2.gz UWZSZKPXSAIFGN-GFCCVEGCSA-N 2 1 250.342 1.714 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001140747878 936749474 /nfs/dbraw/zinc/74/94/74/936749474.db2.gz NRLMGEIPNKQRJE-CZUORRHYSA-N 2 1 276.380 1.790 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001140747878 936749476 /nfs/dbraw/zinc/74/94/76/936749476.db2.gz NRLMGEIPNKQRJE-CZUORRHYSA-N 2 1 276.380 1.790 20 10 CDCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515179 931878481 /nfs/dbraw/zinc/87/84/81/931878481.db2.gz GXOFXQFQUFDNQZ-MEBBXXQBSA-N 2 1 278.352 1.187 20 10 CDCDMP COc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC001205140528 939827393 /nfs/dbraw/zinc/82/73/93/939827393.db2.gz LVVDUGRKLYLBHH-WDEREUQCSA-N 2 1 280.368 1.436 20 10 CDCDMP Cc1cc(C)c(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(O)c1 ZINC001231847027 943026919 /nfs/dbraw/zinc/02/69/19/943026919.db2.gz UPSVNNGJXSKMCN-UHFFFAOYSA-N 2 1 291.439 1.688 20 10 CDCDMP C[N@H+](Cc1cc(O)c(O)cc1O)CC1CC[NH+](C)CC1 ZINC001233485391 943593011 /nfs/dbraw/zinc/59/30/11/943593011.db2.gz UCPXBWPOHOFTCA-UHFFFAOYSA-N 2 1 280.368 1.577 20 10 CDCDMP Oc1cc(Cl)ccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234985624 943995778 /nfs/dbraw/zinc/99/57/78/943995778.db2.gz CVJRSEZGFQNNJO-CQSZACIVSA-N 2 1 281.787 1.183 20 10 CDCDMP Oc1cc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237410292 944762973 /nfs/dbraw/zinc/76/29/73/944762973.db2.gz COEQQRICMAMGFM-CMPLNLGQSA-N 2 1 278.352 1.377 20 10 CDCDMP Oc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237410292 944762982 /nfs/dbraw/zinc/76/29/82/944762982.db2.gz COEQQRICMAMGFM-CMPLNLGQSA-N 2 1 278.352 1.377 20 10 CDCDMP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(C)cccc3O)C[C@@H]2C1 ZINC001237488833 944814396 /nfs/dbraw/zinc/81/43/96/944814396.db2.gz RUEPOZRCTUZIGS-WMLDXEAASA-N 2 1 290.407 1.853 20 10 CDCDMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(C)cccc3O)C[C@@H]2C1 ZINC001237488833 944814404 /nfs/dbraw/zinc/81/44/04/944814404.db2.gz RUEPOZRCTUZIGS-WMLDXEAASA-N 2 1 290.407 1.853 20 10 CDCDMP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(C)cccc3O)C[C@@H]2C1 ZINC001237488833 944814407 /nfs/dbraw/zinc/81/44/07/944814407.db2.gz RUEPOZRCTUZIGS-WMLDXEAASA-N 2 1 290.407 1.853 20 10 CDCDMP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(C)cccc3O)C[C@@H]2C1 ZINC001237488833 944814414 /nfs/dbraw/zinc/81/44/14/944814414.db2.gz RUEPOZRCTUZIGS-WMLDXEAASA-N 2 1 290.407 1.853 20 10 CDCDMP Cn1ccc2c1cc[nH+]c2-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241894570 946493030 /nfs/dbraw/zinc/49/30/30/946493030.db2.gz BLKIDBZSCHKCPS-UHFFFAOYSA-N 2 1 294.362 1.440 20 10 CDCDMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001254497029 947454077 /nfs/dbraw/zinc/45/40/77/947454077.db2.gz FGIBMRGBGLXQAW-SWLSCSKDSA-N 2 1 280.368 1.205 20 10 CDCDMP C[C@@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246175700 948009256 /nfs/dbraw/zinc/00/92/56/948009256.db2.gz VJDDZEBHMKNGPG-ZBFHGGJFSA-N 2 1 288.439 1.326 20 10 CDCDMP Cc1ccc(O)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282303327 367822545 /nfs/dbraw/zinc/82/25/45/367822545.db2.gz JWVIJOFHBFZHDW-UHFFFAOYSA-N 2 1 291.439 1.816 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C[NH3+] ZINC000841101319 618683305 /nfs/dbraw/zinc/68/33/05/618683305.db2.gz SMTBJTNXRLTOHK-CMPLNLGQSA-N 2 1 278.352 1.538 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1O ZINC000897681159 621070561 /nfs/dbraw/zinc/07/05/61/621070561.db2.gz PSEQVDCADKMKKR-YOEHRIQHSA-N 2 1 289.423 1.251 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C[NH2+]C)C2)c1 ZINC000843052974 736661743 /nfs/dbraw/zinc/66/17/43/736661743.db2.gz RJUHIHVXTWAZJB-GFCCVEGCSA-N 2 1 264.369 1.832 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723690186 737079998 /nfs/dbraw/zinc/07/99/98/737079998.db2.gz NLVXHPAJIHYJQF-LLVKDONJSA-N 2 1 250.342 1.572 20 10 CDCDMP Oc1cccc2c1[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC000386753990 737136450 /nfs/dbraw/zinc/13/64/50/737136450.db2.gz FAAGUCOJEFLZBH-QLFBSQMISA-N 2 1 288.391 1.832 20 10 CDCDMP Oc1cccc2c1[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC000386753990 737136459 /nfs/dbraw/zinc/13/64/59/737136459.db2.gz FAAGUCOJEFLZBH-QLFBSQMISA-N 2 1 288.391 1.832 20 10 CDCDMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(O)c1 ZINC000877525825 737142897 /nfs/dbraw/zinc/14/28/97/737142897.db2.gz CRYBGYQJMUZBJG-UHFFFAOYSA-N 2 1 291.439 1.770 20 10 CDCDMP C[C@H](CN)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817966243 737829983 /nfs/dbraw/zinc/82/99/83/737829983.db2.gz JOQBGXUHCWVDMT-VXGBXAGGSA-N 2 1 281.375 1.660 20 10 CDCDMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817966243 737829989 /nfs/dbraw/zinc/82/99/89/737829989.db2.gz JOQBGXUHCWVDMT-VXGBXAGGSA-N 2 1 281.375 1.660 20 10 CDCDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000846226009 737855579 /nfs/dbraw/zinc/85/55/79/737855579.db2.gz WKXRXODWVQCQLF-AWEZNQCLSA-N 2 1 277.412 1.673 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843120735 738353432 /nfs/dbraw/zinc/35/34/32/738353432.db2.gz SZTOMUULLORJTL-INIZCTEOSA-N 2 1 276.380 1.976 20 10 CDCDMP COC[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC[NH2+]1 ZINC000817975028 738593105 /nfs/dbraw/zinc/59/31/05/738593105.db2.gz QBFFNHNNGLXKHD-CJNGLKHVSA-N 2 1 276.380 1.738 20 10 CDCDMP CCOc1ccc(O)c(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000843125027 738826335 /nfs/dbraw/zinc/82/63/35/738826335.db2.gz LLDKUFUFSQOPSG-UHFFFAOYSA-N 2 1 250.342 1.712 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000817961846 737931473 /nfs/dbraw/zinc/93/14/73/737931473.db2.gz DOSBEZKGQHUCGR-NXEZZACHSA-N 2 1 266.341 1.424 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccno3)cc2)CC1 ZINC000843403328 739216078 /nfs/dbraw/zinc/21/60/78/739216078.db2.gz XSYIIZRYDBVHPL-UHFFFAOYSA-N 2 1 286.379 1.716 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000252789693 935071889 /nfs/dbraw/zinc/07/18/89/935071889.db2.gz RTAFIZSKVRCCAS-RYUDHWBXSA-N 2 1 264.369 1.960 20 10 CDCDMP CC[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253138 936611833 /nfs/dbraw/zinc/61/18/33/936611833.db2.gz NBAOQMBHWYRWTE-UHFFFAOYSA-N 2 1 252.358 1.914 20 10 CDCDMP COC[C@@]1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000817974193 930655696 /nfs/dbraw/zinc/65/56/96/930655696.db2.gz JDRCWKBLFUYMTL-LRDDRELGSA-N 2 1 294.395 1.820 20 10 CDCDMP CO[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118423685 937626492 /nfs/dbraw/zinc/62/64/92/937626492.db2.gz LZMXFJJZOILWOV-ZDUSSCGKSA-N 2 1 295.402 1.702 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC001205220469 939837406 /nfs/dbraw/zinc/83/74/06/939837406.db2.gz KLSKKDFXILCBRI-AWEZNQCLSA-N 2 1 268.332 1.207 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001205220469 939837410 /nfs/dbraw/zinc/83/74/10/939837410.db2.gz KLSKKDFXILCBRI-AWEZNQCLSA-N 2 1 268.332 1.207 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(O)cc2O)CC[C@H]1F ZINC001206163314 939988835 /nfs/dbraw/zinc/98/88/35/939988835.db2.gz BOLSZZACZJZHJH-NEPJUHHUSA-N 2 1 254.305 1.359 20 10 CDCDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233486525 943596387 /nfs/dbraw/zinc/59/63/87/943596387.db2.gz PTKHROPWSZMURS-HNNXBMFYSA-N 2 1 278.352 1.331 20 10 CDCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233486525 943596392 /nfs/dbraw/zinc/59/63/92/943596392.db2.gz PTKHROPWSZMURS-HNNXBMFYSA-N 2 1 278.352 1.331 20 10 CDCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233486525 943596396 /nfs/dbraw/zinc/59/63/96/943596396.db2.gz PTKHROPWSZMURS-HNNXBMFYSA-N 2 1 278.352 1.331 20 10 CDCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233486525 943596400 /nfs/dbraw/zinc/59/64/00/943596400.db2.gz PTKHROPWSZMURS-HNNXBMFYSA-N 2 1 278.352 1.331 20 10 CDCDMP Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000158135171 392422454 /nfs/dbraw/zinc/42/24/54/392422454.db2.gz ZIMBLQLNGZYLDE-HUUCEWRRSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000158135171 392422461 /nfs/dbraw/zinc/42/24/61/392422461.db2.gz ZIMBLQLNGZYLDE-HUUCEWRRSA-N 2 1 276.380 1.653 20 10 CDCDMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccccc1O ZINC000228414538 1159265144 /nfs/dbraw/zinc/26/51/44/1159265144.db2.gz NSFVZUFUIVIRJD-CYBMUJFWSA-N 2 1 252.358 1.185 20 10 CDCDMP Cc1cc(O)c(C[N@@H+](C)CCOCC[NH3+])cc1Cl ZINC001579638035 1172231046 /nfs/dbraw/zinc/23/10/46/1172231046.db2.gz OVUMHQVOLGWTDJ-UHFFFAOYSA-N 2 1 272.776 1.761 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000311856400 740839542 /nfs/dbraw/zinc/83/95/42/740839542.db2.gz JTKAENINWNAOGU-FZMZJTMJSA-N 2 1 262.353 1.585 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1O ZINC000131529891 741099915 /nfs/dbraw/zinc/09/99/15/741099915.db2.gz IPHRYQWKUFXVGB-ZYHUDNBSSA-N 2 1 250.342 1.712 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000817960404 741511596 /nfs/dbraw/zinc/51/15/96/741511596.db2.gz MUSNBVPGYOBWCC-ZANVPECISA-N 2 1 250.342 1.789 20 10 CDCDMP COc1ccc(O)c(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093873094 741775242 /nfs/dbraw/zinc/77/52/42/741775242.db2.gz YLCXBZNOYXFKBN-UHFFFAOYSA-N 2 1 252.358 1.818 20 10 CDCDMP COC1(C)C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839101278 741984586 /nfs/dbraw/zinc/98/45/86/741984586.db2.gz LPLVTRZFNFTAPL-UHFFFAOYSA-N 2 1 289.423 1.659 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000841038663 739461858 /nfs/dbraw/zinc/46/18/58/739461858.db2.gz NJGQLWNCWSDRGS-GFCCVEGCSA-N 2 1 252.358 1.864 20 10 CDCDMP C[N@@H+](Cc1cc2c(cc1O)OCO2)CC(C)(C)C[NH3+] ZINC000843056721 739933666 /nfs/dbraw/zinc/93/36/66/739933666.db2.gz XRPGUQVDDLUPPN-UHFFFAOYSA-N 2 1 266.341 1.538 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000817961849 740277259 /nfs/dbraw/zinc/27/72/59/740277259.db2.gz DOSBEZKGQHUCGR-ZJUUUORDSA-N 2 1 266.341 1.424 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000877499471 742537094 /nfs/dbraw/zinc/53/70/94/742537094.db2.gz QDXHPOWIDGDDCK-UHFFFAOYSA-N 2 1 291.439 1.816 20 10 CDCDMP CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235171303 914069998 /nfs/dbraw/zinc/06/99/98/914069998.db2.gz MYDFHVHWVWRFTC-SWLSCSKDSA-N 2 1 261.369 1.381 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235171303 914070016 /nfs/dbraw/zinc/07/00/16/914070016.db2.gz MYDFHVHWVWRFTC-SWLSCSKDSA-N 2 1 261.369 1.381 20 10 CDCDMP COC(=O)Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC001205155670 939830814 /nfs/dbraw/zinc/83/08/14/939830814.db2.gz BDVPQRFVHSYYJN-SMDDNHRTSA-N 2 1 292.379 1.134 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)CC[C@H]1C[NH3+] ZINC001205601410 939907276 /nfs/dbraw/zinc/90/72/76/939907276.db2.gz FGCPVSZWTVNQTE-RYUDHWBXSA-N 2 1 264.369 1.905 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)CC[C@@H]1F ZINC001206163315 939988073 /nfs/dbraw/zinc/98/80/73/939988073.db2.gz BOLSZZACZJZHJH-NWDGAFQWSA-N 2 1 254.305 1.359 20 10 CDCDMP CC(C)(C)c1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206474433 940046115 /nfs/dbraw/zinc/04/61/15/940046115.db2.gz BEGFVPXPXZDQLU-GXTWGEPZSA-N 2 1 278.396 1.441 20 10 CDCDMP Cc1cc(Cl)cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1O ZINC001234994169 944001156 /nfs/dbraw/zinc/00/11/56/944001156.db2.gz PWAMAIOWQDJXGF-OAHLLOKOSA-N 2 1 295.814 1.491 20 10 CDCDMP Cc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1N(C)C ZINC001235995317 944362487 /nfs/dbraw/zinc/36/24/87/944362487.db2.gz RGBXQYCKIPPRQA-FKEKPDDDSA-N 2 1 289.423 1.467 20 10 CDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCO)cc2)CC1 ZINC001236255959 944438722 /nfs/dbraw/zinc/43/87/22/944438722.db2.gz ULNZKITZTNKLKQ-UHFFFAOYSA-N 2 1 277.412 1.253 20 10 CDCDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000172507308 391854819 /nfs/dbraw/zinc/85/48/19/391854819.db2.gz PNFLGFVMYKRWJT-NSHDSACASA-N 2 1 278.352 1.504 20 10 CDCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000172507308 391854822 /nfs/dbraw/zinc/85/48/22/391854822.db2.gz PNFLGFVMYKRWJT-NSHDSACASA-N 2 1 278.352 1.504 20 10 CDCDMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c1C ZINC000762784854 576671325 /nfs/dbraw/zinc/67/13/25/576671325.db2.gz ALRURKXCGZFVJB-XJKSGUPXSA-N 2 1 278.396 1.726 20 10 CDCDMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c1C ZINC000762784854 576671327 /nfs/dbraw/zinc/67/13/27/576671327.db2.gz ALRURKXCGZFVJB-XJKSGUPXSA-N 2 1 278.396 1.726 20 10 CDCDMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902417726 624780831 /nfs/dbraw/zinc/78/08/31/624780831.db2.gz ZJJLTHQKKUFLAF-LBPRGKRZSA-N 2 1 293.386 1.804 20 10 CDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841073418 624972896 /nfs/dbraw/zinc/97/28/96/624972896.db2.gz WYDABHJARWYIDV-CYBMUJFWSA-N 2 1 281.375 1.489 20 10 CDCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000702638383 742870924 /nfs/dbraw/zinc/87/09/24/742870924.db2.gz YGSQJPZWHCTZDJ-IUODEOHRSA-N 2 1 264.369 1.418 20 10 CDCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000702638383 742870927 /nfs/dbraw/zinc/87/09/27/742870927.db2.gz YGSQJPZWHCTZDJ-IUODEOHRSA-N 2 1 264.369 1.418 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000311856402 743478586 /nfs/dbraw/zinc/47/85/86/743478586.db2.gz JTKAENINWNAOGU-SMDDNHRTSA-N 2 1 262.353 1.585 20 10 CDCDMP CCOc1ccc(O)c(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000843046694 746818366 /nfs/dbraw/zinc/81/83/66/746818366.db2.gz ZHOABOXLOYNCRN-UHFFFAOYSA-N 2 1 264.369 1.975 20 10 CDCDMP CC(=O)c1cc(F)cc(C[NH+]2CCC(O)(C[NH3+])CC2)c1O ZINC000842480673 747013706 /nfs/dbraw/zinc/01/37/06/747013706.db2.gz YZXUACAABAHANB-UHFFFAOYSA-N 2 1 296.342 1.020 20 10 CDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000843044582 747849632 /nfs/dbraw/zinc/84/96/32/747849632.db2.gz KFKWFMBMHIUXHU-LBPRGKRZSA-N 2 1 264.369 1.832 20 10 CDCDMP Cc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000809743479 748325636 /nfs/dbraw/zinc/32/56/36/748325636.db2.gz SEKDEQVXPGUGJR-UHFFFAOYSA-N 2 1 291.439 1.770 20 10 CDCDMP CN(C)c1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000381306122 748362920 /nfs/dbraw/zinc/36/29/20/748362920.db2.gz OITSLYAJKJYMNF-GMBUGEKQSA-N 2 1 271.408 1.839 20 10 CDCDMP C[NH2+]C[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000853249573 748982318 /nfs/dbraw/zinc/98/23/18/748982318.db2.gz RJYHVZJJPLJQQJ-CYBMUJFWSA-N 2 1 277.412 1.862 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206155600 911196292 /nfs/dbraw/zinc/19/62/92/911196292.db2.gz MPTBFYLGRQKJCW-CHWSQXEVSA-N 2 1 268.332 1.662 20 10 CDCDMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001205673383 924326640 /nfs/dbraw/zinc/32/66/40/924326640.db2.gz QCANHRMZQCHRMG-AWEZNQCLSA-N 2 1 268.332 1.207 20 10 CDCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001205673383 924326647 /nfs/dbraw/zinc/32/66/47/924326647.db2.gz QCANHRMZQCHRMG-AWEZNQCLSA-N 2 1 268.332 1.207 20 10 CDCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001205673387 924329386 /nfs/dbraw/zinc/32/93/86/924329386.db2.gz QCANHRMZQCHRMG-CQSZACIVSA-N 2 1 268.332 1.207 20 10 CDCDMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001205673387 924329393 /nfs/dbraw/zinc/32/93/93/924329393.db2.gz QCANHRMZQCHRMG-CQSZACIVSA-N 2 1 268.332 1.207 20 10 CDCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001205673387 924329398 /nfs/dbraw/zinc/32/93/98/924329398.db2.gz QCANHRMZQCHRMG-CQSZACIVSA-N 2 1 268.332 1.207 20 10 CDCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144515199 931878604 /nfs/dbraw/zinc/87/86/04/931878604.db2.gz HTLCJCIHADQDTR-OAHLLOKOSA-N 2 1 278.352 1.331 20 10 CDCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144515199 931878609 /nfs/dbraw/zinc/87/86/09/931878609.db2.gz HTLCJCIHADQDTR-OAHLLOKOSA-N 2 1 278.352 1.331 20 10 CDCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144515199 931878615 /nfs/dbraw/zinc/87/86/15/931878615.db2.gz HTLCJCIHADQDTR-OAHLLOKOSA-N 2 1 278.352 1.331 20 10 CDCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144515198 931879092 /nfs/dbraw/zinc/87/90/92/931879092.db2.gz HTLCJCIHADQDTR-HNNXBMFYSA-N 2 1 278.352 1.331 20 10 CDCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144515198 931879096 /nfs/dbraw/zinc/87/90/96/931879096.db2.gz HTLCJCIHADQDTR-HNNXBMFYSA-N 2 1 278.352 1.331 20 10 CDCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144515198 931879100 /nfs/dbraw/zinc/87/91/00/931879100.db2.gz HTLCJCIHADQDTR-HNNXBMFYSA-N 2 1 278.352 1.331 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@H]1C[NH3+] ZINC001205639333 939911260 /nfs/dbraw/zinc/91/12/60/939911260.db2.gz ZAGLNXPHXMWMGD-JQWIXIFHSA-N 2 1 280.368 1.610 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)CCC[C@H]1C[NH3+] ZINC001205994667 939964515 /nfs/dbraw/zinc/96/45/15/939964515.db2.gz LSEZFMYNZJLVCU-NEPJUHHUSA-N 2 1 264.369 1.905 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)cc1O ZINC001206190216 939995458 /nfs/dbraw/zinc/99/54/58/939995458.db2.gz ZOGSEQTYJFFMMV-MNOVXSKESA-N 2 1 284.331 1.368 20 10 CDCDMP Oc1cc(O)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222248299 941578424 /nfs/dbraw/zinc/57/84/24/941578424.db2.gz KWHOGXQVAHOIMS-OAHLLOKOSA-N 2 1 278.352 1.521 20 10 CDCDMP Oc1cc(O)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222248299 941578425 /nfs/dbraw/zinc/57/84/25/941578425.db2.gz KWHOGXQVAHOIMS-OAHLLOKOSA-N 2 1 278.352 1.521 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233483633 943592090 /nfs/dbraw/zinc/59/20/90/943592090.db2.gz GTKTVKHHOVFLNI-PWSUYJOCSA-N 2 1 278.352 1.187 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233483633 943592096 /nfs/dbraw/zinc/59/20/96/943592096.db2.gz GTKTVKHHOVFLNI-PWSUYJOCSA-N 2 1 278.352 1.187 20 10 CDCDMP Oc1cc(O)c(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1O ZINC001256067192 948191716 /nfs/dbraw/zinc/19/17/16/948191716.db2.gz FORXIXTZGNKWBP-UHFFFAOYSA-N 2 1 292.379 1.562 20 10 CDCDMP Nc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC001352788517 967482270 /nfs/dbraw/zinc/48/22/70/967482270.db2.gz FHLWWVYXNLZJCV-HNNXBMFYSA-N 2 1 290.411 1.088 20 10 CDCDMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(O)c1OC ZINC000893304651 617544836 /nfs/dbraw/zinc/54/48/36/617544836.db2.gz NXHPFYJLIBFUGH-UHFFFAOYSA-N 2 1 292.379 1.761 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000843057542 618690992 /nfs/dbraw/zinc/69/09/92/618690992.db2.gz JNURRONSTUCQRI-VXGBXAGGSA-N 2 1 264.369 1.960 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994771 631472877 /nfs/dbraw/zinc/47/28/77/631472877.db2.gz LWCMKKPMBHETFN-MRXNPFEDSA-N 2 1 259.397 1.938 20 10 CDCDMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817972594 752155455 /nfs/dbraw/zinc/15/54/55/752155455.db2.gz YFJFCZNAZIUBEI-NEPJUHHUSA-N 2 1 281.375 1.660 20 10 CDCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000815616390 749894624 /nfs/dbraw/zinc/89/46/24/749894624.db2.gz NKRUKDFDMAXOQX-CZUORRHYSA-N 2 1 278.396 1.726 20 10 CDCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000815616390 749894628 /nfs/dbraw/zinc/89/46/28/749894628.db2.gz NKRUKDFDMAXOQX-CZUORRHYSA-N 2 1 278.396 1.726 20 10 CDCDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000843053591 750892998 /nfs/dbraw/zinc/89/29/98/750892998.db2.gz DFHLOBFJPYQQDO-YHWZYXNKSA-N 2 1 290.363 1.965 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1O ZINC000311701299 751195837 /nfs/dbraw/zinc/19/58/37/751195837.db2.gz MAJHWMPXYDRVRI-AAEUAGOBSA-N 2 1 262.353 1.585 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000840938990 752356442 /nfs/dbraw/zinc/35/64/42/752356442.db2.gz IWQCNFKXBAXGQU-INIZCTEOSA-N 2 1 277.412 1.217 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000840938990 752356450 /nfs/dbraw/zinc/35/64/50/752356450.db2.gz IWQCNFKXBAXGQU-INIZCTEOSA-N 2 1 277.412 1.217 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC12CCOCC2 ZINC000843124659 752840277 /nfs/dbraw/zinc/84/02/77/752840277.db2.gz FCCXPZTVCQFPES-ZDUSSCGKSA-N 2 1 294.370 1.719 20 10 CDCDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841038449 752924885 /nfs/dbraw/zinc/92/48/85/752924885.db2.gz JPEWOLQCJLLWOX-LLVKDONJSA-N 2 1 266.341 1.584 20 10 CDCDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841038606 753333410 /nfs/dbraw/zinc/33/34/10/753333410.db2.gz LSRZWEYKWCWTJU-MRXNPFEDSA-N 2 1 291.439 1.986 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(O)c1 ZINC000843056914 753540463 /nfs/dbraw/zinc/54/04/63/753540463.db2.gz BUEIKXLDMCAQSZ-NEPJUHHUSA-N 2 1 264.369 1.960 20 10 CDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205109515 913675675 /nfs/dbraw/zinc/67/56/75/913675675.db2.gz HIUFZVFVSJHZTR-INIZCTEOSA-N 3 1 288.439 1.409 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205228718 919215577 /nfs/dbraw/zinc/21/55/77/919215577.db2.gz IHEGKODETMRQGR-CQSZACIVSA-N 2 1 286.322 1.346 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205228718 919215590 /nfs/dbraw/zinc/21/55/90/919215590.db2.gz IHEGKODETMRQGR-CQSZACIVSA-N 2 1 286.322 1.346 20 10 CDCDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000219686462 930895303 /nfs/dbraw/zinc/89/53/03/930895303.db2.gz WECANQKZFMOLBG-NSHDSACASA-N 2 1 252.333 1.963 20 10 CDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000219686462 930895309 /nfs/dbraw/zinc/89/53/09/930895309.db2.gz WECANQKZFMOLBG-NSHDSACASA-N 2 1 252.333 1.963 20 10 CDCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205229706 939839846 /nfs/dbraw/zinc/83/98/46/939839846.db2.gz OHMOUVINBUYXHD-MRXNPFEDSA-N 2 1 278.396 1.685 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1C[NH3+] ZINC001205639515 939910812 /nfs/dbraw/zinc/91/08/12/939910812.db2.gz ZRIMVJUAVAXBSP-GHMZBOCLSA-N 2 1 280.368 1.610 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205683012 939917274 /nfs/dbraw/zinc/91/72/74/939917274.db2.gz WFZLCMNOXYXGGB-HNNXBMFYSA-N 2 1 280.368 1.082 20 10 CDCDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001276516663 940167363 /nfs/dbraw/zinc/16/73/63/940167363.db2.gz LXKYNSROPHWVEK-UHFFFAOYSA-N 2 1 292.379 1.721 20 10 CDCDMP COc1cc(C[N@H+](C)CCC[NH+](C)C)c(O)cc1O ZINC001231634705 942949225 /nfs/dbraw/zinc/94/92/25/942949225.db2.gz RGTASYGTXOULNU-UHFFFAOYSA-N 2 1 268.357 1.490 20 10 CDCDMP COc1cc(C[N@@H+](C)CCC[NH+](C)C)c(O)cc1O ZINC001231634705 942949227 /nfs/dbraw/zinc/94/92/27/942949227.db2.gz RGTASYGTXOULNU-UHFFFAOYSA-N 2 1 268.357 1.490 20 10 CDCDMP Oc1c(F)cccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317250 944467215 /nfs/dbraw/zinc/46/72/15/944467215.db2.gz VAIRDAVHALGTAO-TXEJJXNPSA-N 2 1 264.344 1.963 20 10 CDCDMP Oc1c(F)cccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317250 944467219 /nfs/dbraw/zinc/46/72/19/944467219.db2.gz VAIRDAVHALGTAO-TXEJJXNPSA-N 2 1 264.344 1.963 20 10 CDCDMP CC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001343280778 963943388 /nfs/dbraw/zinc/94/33/88/963943388.db2.gz RLISDNUYHTUASG-AWEZNQCLSA-N 2 1 295.402 1.438 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC(O)C1 ZINC000761222728 576561208 /nfs/dbraw/zinc/56/12/08/576561208.db2.gz MGICOYWRZNTIPX-UHFFFAOYSA-N 2 1 289.423 1.394 20 10 CDCDMP COc1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000841045220 618678480 /nfs/dbraw/zinc/67/84/80/618678480.db2.gz PMIFJOPQKFJRQJ-CQSZACIVSA-N 2 1 275.396 1.616 20 10 CDCDMP C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000841100532 618682097 /nfs/dbraw/zinc/68/20/97/618682097.db2.gz HCLNCBUIHSIMGI-CMPLNLGQSA-N 2 1 252.333 1.948 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000841100532 618682099 /nfs/dbraw/zinc/68/20/99/618682099.db2.gz HCLNCBUIHSIMGI-CMPLNLGQSA-N 2 1 252.333 1.948 20 10 CDCDMP C[NH2+]CCC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841104431 618683066 /nfs/dbraw/zinc/68/30/66/618683066.db2.gz RMIINOQPJBWRIZ-UHFFFAOYSA-N 2 1 295.402 1.704 20 10 CDCDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841104431 618683069 /nfs/dbraw/zinc/68/30/69/618683069.db2.gz RMIINOQPJBWRIZ-UHFFFAOYSA-N 2 1 295.402 1.704 20 10 CDCDMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000305109978 753839458 /nfs/dbraw/zinc/83/94/58/753839458.db2.gz FKRTVJBWPYNDQB-DOMZBBRYSA-N 2 1 265.401 1.326 20 10 CDCDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817894914 755196462 /nfs/dbraw/zinc/19/64/62/755196462.db2.gz OWCDFCOVHGJGKK-HOTGVXAUSA-N 2 1 275.396 1.493 20 10 CDCDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843046819 755882226 /nfs/dbraw/zinc/88/22/26/755882226.db2.gz BJZJJNSLGJHLRJ-INIZCTEOSA-N 2 1 289.423 1.694 20 10 CDCDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854229930 757444881 /nfs/dbraw/zinc/44/48/81/757444881.db2.gz APYFEZMBFZHFTF-IAGOWNOFSA-N 2 1 289.423 1.617 20 10 CDCDMP COc1c(O)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000841059163 758719148 /nfs/dbraw/zinc/71/91/48/758719148.db2.gz ZZFURLNAFYKLOL-QWRGUYRKSA-N 2 1 295.339 1.669 20 10 CDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC001275267631 931718262 /nfs/dbraw/zinc/71/82/62/931718262.db2.gz URIZYLHAOVDOAY-GASCZTMLSA-N 2 1 275.396 1.212 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC[C@H]1C[NH3+] ZINC001206012965 939967264 /nfs/dbraw/zinc/96/72/64/939967264.db2.gz OJTXOBQMIAPFKZ-QWRGUYRKSA-N 2 1 280.368 1.610 20 10 CDCDMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206183065 939993383 /nfs/dbraw/zinc/99/33/83/939993383.db2.gz FETYTILFGQIPHI-QWHCGFSZSA-N 2 1 252.333 1.962 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237379314 944737489 /nfs/dbraw/zinc/73/74/89/944737489.db2.gz ATTXYVZFNJJLSY-SWLSCSKDSA-N 2 1 276.380 1.975 20 10 CDCDMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001328677716 955412021 /nfs/dbraw/zinc/41/20/21/955412021.db2.gz SXLWQFXFOLPNFM-VIFPVBQESA-N 2 1 283.328 1.397 20 10 CDCDMP COc1ccc(N2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000844221337 768869630 /nfs/dbraw/zinc/86/96/30/768869630.db2.gz DDXNBNZOOUYKAS-OAHLLOKOSA-N 2 1 289.423 1.817 20 10 CDCDMP C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC([NH3+])C1 ZINC000843125379 772764659 /nfs/dbraw/zinc/76/46/59/772764659.db2.gz UMYGLVOCUFCQGK-UHFFFAOYSA-N 2 1 250.298 1.042 20 10 CDCDMP Oc1ccccc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000843356396 772816005 /nfs/dbraw/zinc/81/60/05/772816005.db2.gz MWEBEJLKGJITMZ-GDBMZVCRSA-N 2 1 290.407 1.983 20 10 CDCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000702566580 773045250 /nfs/dbraw/zinc/04/52/50/773045250.db2.gz JWVHRPAEGDBOGW-CJNGLKHVSA-N 2 1 277.412 1.470 20 10 CDCDMP COc1cccc(O)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000843046649 773727074 /nfs/dbraw/zinc/72/70/74/773727074.db2.gz XZOZWVMBLAQARJ-UHFFFAOYSA-N 2 1 250.342 1.585 20 10 CDCDMP COc1cccc(O)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000843046649 773727085 /nfs/dbraw/zinc/72/70/85/773727085.db2.gz XZOZWVMBLAQARJ-UHFFFAOYSA-N 2 1 250.342 1.585 20 10 CDCDMP Cc1cccc(O)c1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001237488437 917445167 /nfs/dbraw/zinc/44/51/67/917445167.db2.gz XSTURWJQQFPWMW-UHFFFAOYSA-N 2 1 277.412 1.380 20 10 CDCDMP COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205764525 924851427 /nfs/dbraw/zinc/85/14/27/924851427.db2.gz WOJDBYAKCXCSIK-LLVKDONJSA-N 2 1 286.322 1.817 20 10 CDCDMP COc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205764525 924851433 /nfs/dbraw/zinc/85/14/33/924851433.db2.gz WOJDBYAKCXCSIK-LLVKDONJSA-N 2 1 286.322 1.817 20 10 CDCDMP C[NH+](C)CCC[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144500574 931860294 /nfs/dbraw/zinc/86/02/94/931860294.db2.gz VFYAHLIEKKFPSP-UHFFFAOYSA-N 2 1 254.330 1.187 20 10 CDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204280739 939751831 /nfs/dbraw/zinc/75/18/31/939751831.db2.gz DEWKUDSEQCRMLI-BETUJISGSA-N 2 1 262.353 1.481 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204280739 939751834 /nfs/dbraw/zinc/75/18/34/939751834.db2.gz DEWKUDSEQCRMLI-BETUJISGSA-N 2 1 262.353 1.481 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204280739 939751836 /nfs/dbraw/zinc/75/18/36/939751836.db2.gz DEWKUDSEQCRMLI-BETUJISGSA-N 2 1 262.353 1.481 20 10 CDCDMP Cc1cc(F)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC001205151108 939829058 /nfs/dbraw/zinc/82/90/58/939829058.db2.gz PBKAXZDYZFFYPF-CMPLNLGQSA-N 2 1 252.333 1.866 20 10 CDCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206464813 940043138 /nfs/dbraw/zinc/04/31/38/940043138.db2.gz SYSGANDNVFGFDW-GOEBONIOSA-N 2 1 277.412 1.284 20 10 CDCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001206623580 940073405 /nfs/dbraw/zinc/07/34/05/940073405.db2.gz NGBLLWCKDOBCTR-NSHDSACASA-N 2 1 250.342 1.659 20 10 CDCDMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1 ZINC000194537137 941468050 /nfs/dbraw/zinc/46/80/50/941468050.db2.gz REZBVPNNWJUOBS-BETUJISGSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC000194537137 941468056 /nfs/dbraw/zinc/46/80/56/941468056.db2.gz REZBVPNNWJUOBS-BETUJISGSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c1 ZINC000194537137 941468061 /nfs/dbraw/zinc/46/80/61/941468061.db2.gz REZBVPNNWJUOBS-BETUJISGSA-N 2 1 262.353 1.394 20 10 CDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC000388694401 944152177 /nfs/dbraw/zinc/15/21/77/944152177.db2.gz UTXGMJLJTORDID-YPMHNXCESA-N 2 1 264.344 1.915 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC000388694401 944152180 /nfs/dbraw/zinc/15/21/80/944152180.db2.gz UTXGMJLJTORDID-YPMHNXCESA-N 2 1 264.344 1.915 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC000388694401 944152185 /nfs/dbraw/zinc/15/21/85/944152185.db2.gz UTXGMJLJTORDID-YPMHNXCESA-N 2 1 264.344 1.915 20 10 CDCDMP Cn1ccc2c1cc[nH+]c2-c1cnn(C2C[NH2+]C2)c1 ZINC001241588916 946369542 /nfs/dbraw/zinc/36/95/42/946369542.db2.gz DPDQJZYTSWWFQH-UHFFFAOYSA-N 2 1 253.309 1.581 20 10 CDCDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1O ZINC000183490857 391266239 /nfs/dbraw/zinc/26/62/39/391266239.db2.gz COGIFMUKGFIWFR-CYBMUJFWSA-N 2 1 291.395 1.207 20 10 CDCDMP COC[C@@]1(C[NH2+]Cc2cccc(C)c2O)CCC[NH2+]1 ZINC000841066947 618680190 /nfs/dbraw/zinc/68/01/90/618680190.db2.gz HDCWECWOHHAJOU-HNNXBMFYSA-N 2 1 264.369 1.559 20 10 CDCDMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(O)c1 ZINC000843057533 618691346 /nfs/dbraw/zinc/69/13/46/618691346.db2.gz JLPTXSNSWAKTMP-VXGBXAGGSA-N 2 1 264.369 1.960 20 10 CDCDMP C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1C[NH2+]C1 ZINC000902517038 624915680 /nfs/dbraw/zinc/91/56/80/624915680.db2.gz JELWTGSLWGVKGK-SUMWQHHRSA-N 2 1 290.455 1.553 20 10 CDCDMP Cc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1O ZINC000841100170 630579111 /nfs/dbraw/zinc/57/91/11/630579111.db2.gz FCHLDSWZNLHAIX-ZDUSSCGKSA-N 2 1 250.342 1.250 20 10 CDCDMP CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(O)CC[NH2+]C2)cc1 ZINC001578425862 1171906582 /nfs/dbraw/zinc/90/65/82/1171906582.db2.gz PPCYEJATVQIHQD-MJSXRHKHSA-N 2 1 275.396 1.080 20 10 CDCDMP CN1CCN(c2ccc(C[NH2+]CCCC[NH3+])cc2)CC1 ZINC000107797498 1174778581 /nfs/dbraw/zinc/77/85/81/1174778581.db2.gz NQBBHQKUEKOQPX-UHFFFAOYSA-N 2 1 276.428 1.267 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1O ZINC000723699525 773868900 /nfs/dbraw/zinc/86/89/00/773868900.db2.gz TVXRGCITIQVJIB-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1cccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000846166670 774046273 /nfs/dbraw/zinc/04/62/73/774046273.db2.gz ZLBIPFJYUNHNGO-XHDPSFHLSA-N 2 1 280.368 1.118 20 10 CDCDMP COc1cccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000846166670 774046282 /nfs/dbraw/zinc/04/62/82/774046282.db2.gz ZLBIPFJYUNHNGO-XHDPSFHLSA-N 2 1 280.368 1.118 20 10 CDCDMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843123867 778392148 /nfs/dbraw/zinc/39/21/48/778392148.db2.gz QVVRARIZDCDNMS-GFCCVEGCSA-N 2 1 278.352 1.824 20 10 CDCDMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000219838917 778834881 /nfs/dbraw/zinc/83/48/81/778834881.db2.gz DIVZZHPTMGTMKB-VIFPVBQESA-N 2 1 285.185 1.935 20 10 CDCDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000219838917 778834883 /nfs/dbraw/zinc/83/48/83/778834883.db2.gz DIVZZHPTMGTMKB-VIFPVBQESA-N 2 1 285.185 1.935 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070169515 779365469 /nfs/dbraw/zinc/36/54/69/779365469.db2.gz MQTSYJNDOANOQY-LBPRGKRZSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000215995118 779481648 /nfs/dbraw/zinc/48/16/48/779481648.db2.gz YYZWETPHPQILNP-WDEREUQCSA-N 2 1 250.342 1.570 20 10 CDCDMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206277287 914172308 /nfs/dbraw/zinc/17/23/08/914172308.db2.gz QSUGSPLSZRWADT-HNNXBMFYSA-N 3 1 288.439 1.138 20 10 CDCDMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206277287 914172315 /nfs/dbraw/zinc/17/23/15/914172315.db2.gz QSUGSPLSZRWADT-HNNXBMFYSA-N 3 1 288.439 1.138 20 10 CDCDMP COc1c(O)c(C[NH2+]CCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000841089706 936975355 /nfs/dbraw/zinc/97/53/55/936975355.db2.gz KEKVGHWSPRMLDO-UHFFFAOYSA-N 2 1 295.339 1.541 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCC[C@@H]1C[NH3+] ZINC001205994722 927523234 /nfs/dbraw/zinc/52/32/34/927523234.db2.gz MCMXORCUMOSQHZ-WCQYABFASA-N 2 1 264.369 1.905 20 10 CDCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001206639960 937276881 /nfs/dbraw/zinc/27/68/81/937276881.db2.gz HIBYTRKNMJUMJR-SNVBAGLBSA-N 2 1 266.341 1.364 20 10 CDCDMP COc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205210504 939835438 /nfs/dbraw/zinc/83/54/38/939835438.db2.gz PBDCROYOFURPQU-HNNXBMFYSA-N 2 1 280.368 1.077 20 10 CDCDMP Oc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1O ZINC001256067811 948192176 /nfs/dbraw/zinc/19/21/76/948192176.db2.gz KGRPMDRKFTWZMH-UHFFFAOYSA-N 2 1 276.380 1.857 20 10 CDCDMP COC[C@@]1(C[NH2+]Cc2cc(C)c(C)cc2O)CCC[NH2+]1 ZINC000841068136 618680533 /nfs/dbraw/zinc/68/05/33/618680533.db2.gz WGFBZERNXXLPRX-INIZCTEOSA-N 2 1 278.396 1.867 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C[NH3+] ZINC000841101322 618683190 /nfs/dbraw/zinc/68/31/90/618683190.db2.gz SMTBJTNXRLTOHK-ZYHUDNBSSA-N 2 1 278.352 1.538 20 10 CDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843058708 618691797 /nfs/dbraw/zinc/69/17/97/618691797.db2.gz WVENNANUNGTFAJ-HOCLYGCPSA-N 2 1 289.423 1.692 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120203 781602150 /nfs/dbraw/zinc/60/21/50/781602150.db2.gz VKSMNSISNZOKSZ-UHFFFAOYSA-N 2 1 276.380 1.976 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000311856399 912808096 /nfs/dbraw/zinc/80/80/96/912808096.db2.gz JTKAENINWNAOGU-BXUZGUMPSA-N 2 1 262.353 1.585 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)c(OC)c1 ZINC001205123537 913826413 /nfs/dbraw/zinc/82/64/13/913826413.db2.gz BYXSUANYDLXIRY-GFCCVEGCSA-N 2 1 280.368 1.723 20 10 CDCDMP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000090720543 895887683 /nfs/dbraw/zinc/88/76/83/895887683.db2.gz LLOXYNQZLBDAQZ-CMPLNLGQSA-N 2 1 278.352 1.693 20 10 CDCDMP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000090720543 895887688 /nfs/dbraw/zinc/88/76/88/895887688.db2.gz LLOXYNQZLBDAQZ-CMPLNLGQSA-N 2 1 278.352 1.693 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1F ZINC001206185060 912126536 /nfs/dbraw/zinc/12/65/36/912126536.db2.gz KXIPOGGXKIWDGC-QWRGUYRKSA-N 2 1 270.304 1.065 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CN)c1O ZINC000070175479 917204282 /nfs/dbraw/zinc/20/42/82/917204282.db2.gz BILZQOTXMNOBLR-DGCLKSJQSA-N 2 1 264.369 1.960 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000082713163 918034549 /nfs/dbraw/zinc/03/45/49/918034549.db2.gz AFSIRFYXLGWDRM-UHFFFAOYSA-N 2 1 275.396 1.271 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205229772 919227889 /nfs/dbraw/zinc/22/78/89/919227889.db2.gz OWLRHDSQPLJILR-OAHLLOKOSA-N 2 1 264.369 1.376 20 10 CDCDMP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256177 936611975 /nfs/dbraw/zinc/61/19/75/936611975.db2.gz VXAPDVRBSRUCQO-FZMZJTMJSA-N 2 1 294.395 1.275 20 10 CDCDMP Cc1c(O)ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC001140748015 936749824 /nfs/dbraw/zinc/74/98/24/936749824.db2.gz RFTLOPZRZPDKEO-MRXNPFEDSA-N 2 1 276.380 1.934 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC001140748015 936749826 /nfs/dbraw/zinc/74/98/26/936749826.db2.gz RFTLOPZRZPDKEO-MRXNPFEDSA-N 2 1 276.380 1.934 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC001140748015 936749827 /nfs/dbraw/zinc/74/98/27/936749827.db2.gz RFTLOPZRZPDKEO-MRXNPFEDSA-N 2 1 276.380 1.934 20 10 CDCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001205663984 924203396 /nfs/dbraw/zinc/20/33/96/924203396.db2.gz KXRHCXOXMHJCSH-CQSZACIVSA-N 2 1 284.787 1.721 20 10 CDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2O)CC12CCOCC2 ZINC000843124893 937114993 /nfs/dbraw/zinc/11/49/93/937114993.db2.gz KJBBGJLNEWKGMJ-CQSZACIVSA-N 2 1 276.380 1.580 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857225995 928681932 /nfs/dbraw/zinc/68/19/32/928681932.db2.gz CLHVGJZAHOMTET-SWLSCSKDSA-N 2 1 262.353 1.714 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857225995 928681935 /nfs/dbraw/zinc/68/19/35/928681935.db2.gz CLHVGJZAHOMTET-SWLSCSKDSA-N 2 1 262.353 1.714 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](C)CCOCC[NH3+])cc1F ZINC000863650916 929584111 /nfs/dbraw/zinc/58/41/11/929584111.db2.gz DWUGDSZHZBQPNQ-UHFFFAOYSA-N 2 1 269.364 1.299 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000817954172 930644264 /nfs/dbraw/zinc/64/42/64/930644264.db2.gz XCASIOSMCYQDPU-UWVGGRQHSA-N 2 1 266.341 1.567 20 10 CDCDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846699523 932116217 /nfs/dbraw/zinc/11/62/17/932116217.db2.gz UCJNJBZCZOAQCY-ONGXEEELSA-N 2 1 264.325 1.433 20 10 CDCDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846699523 932116220 /nfs/dbraw/zinc/11/62/20/932116220.db2.gz UCJNJBZCZOAQCY-ONGXEEELSA-N 2 1 264.325 1.433 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc(O)c1O ZINC001205603350 939907582 /nfs/dbraw/zinc/90/75/82/939907582.db2.gz OKIXZIQASBFZBJ-AAEUAGOBSA-N 2 1 294.395 1.913 20 10 CDCDMP CN1CCOc2cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc21 ZINC001206175211 939990321 /nfs/dbraw/zinc/99/03/21/939990321.db2.gz SJMKLRXWCUKXKS-KGLIPLIRSA-N 2 1 293.386 1.776 20 10 CDCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001206318239 940017387 /nfs/dbraw/zinc/01/73/87/940017387.db2.gz OGLRKNRLOMWXAB-HNNXBMFYSA-N 2 1 280.368 1.754 20 10 CDCDMP Cc1c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206468286 940044692 /nfs/dbraw/zinc/04/46/92/940044692.db2.gz GQTJIRPYRVKDAA-BLLLJJGKSA-N 2 1 273.380 1.238 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222095330 941563253 /nfs/dbraw/zinc/56/32/53/941563253.db2.gz PGZDKNWTWKWXTM-UHFFFAOYSA-N 2 1 275.396 1.228 20 10 CDCDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233486526 943595969 /nfs/dbraw/zinc/59/59/69/943595969.db2.gz PTKHROPWSZMURS-OAHLLOKOSA-N 2 1 278.352 1.331 20 10 CDCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233486526 943595972 /nfs/dbraw/zinc/59/59/72/943595972.db2.gz PTKHROPWSZMURS-OAHLLOKOSA-N 2 1 278.352 1.331 20 10 CDCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233486526 943595975 /nfs/dbraw/zinc/59/59/75/943595975.db2.gz PTKHROPWSZMURS-OAHLLOKOSA-N 2 1 278.352 1.331 20 10 CDCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233486526 943595979 /nfs/dbraw/zinc/59/59/79/943595979.db2.gz PTKHROPWSZMURS-OAHLLOKOSA-N 2 1 278.352 1.331 20 10 CDCDMP c1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCCO1)CCCO2 ZINC000904358094 626266082 /nfs/dbraw/zinc/26/60/82/626266082.db2.gz HUHYLEGOPGKXJS-OAHLLOKOSA-N 2 1 276.380 1.480 20 10 CDCDMP Cc1ccc(O)c(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1 ZINC001140622971 936732220 /nfs/dbraw/zinc/73/22/20/936732220.db2.gz JHBOWJWZMMSQCH-UHFFFAOYSA-N 2 1 277.412 1.380 20 10 CDCDMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000702637005 922581172 /nfs/dbraw/zinc/58/11/72/922581172.db2.gz RJKPIHJOWGKFDJ-WFASDCNBSA-N 2 1 264.369 1.418 20 10 CDCDMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000702637005 922581177 /nfs/dbraw/zinc/58/11/77/922581177.db2.gz RJKPIHJOWGKFDJ-WFASDCNBSA-N 2 1 264.369 1.418 20 10 CDCDMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1O ZINC000923493411 923878852 /nfs/dbraw/zinc/87/88/52/923878852.db2.gz URDJSNTYQKNLBQ-NSHDSACASA-N 2 1 280.343 1.905 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1F ZINC000841049299 936973852 /nfs/dbraw/zinc/97/38/52/936973852.db2.gz JMPQMLYIJAAJOI-ZDUSSCGKSA-N 2 1 251.349 1.719 20 10 CDCDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000843056456 937108306 /nfs/dbraw/zinc/10/83/06/937108306.db2.gz KLMNFNNDTCYYKS-LBPRGKRZSA-N 2 1 280.368 1.926 20 10 CDCDMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817972595 930655056 /nfs/dbraw/zinc/65/50/56/930655056.db2.gz YFJFCZNAZIUBEI-NWDGAFQWSA-N 2 1 281.375 1.660 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000380219515 934866526 /nfs/dbraw/zinc/86/65/26/934866526.db2.gz IXENCAHGHKMQQI-OAHLLOKOSA-N 2 1 275.396 1.180 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC001205230169 939839803 /nfs/dbraw/zinc/83/98/03/939839803.db2.gz QUPFEQNHTCYCQC-CQSZACIVSA-N 2 1 268.332 1.207 20 10 CDCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001205264306 939843159 /nfs/dbraw/zinc/84/31/59/939843159.db2.gz JPRWUTKQKXABNO-CQSZACIVSA-N 2 1 250.342 1.801 20 10 CDCDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@H]2C1 ZINC001233487348 943595315 /nfs/dbraw/zinc/59/53/15/943595315.db2.gz ZSSIMMQQTMTSSX-CHWSQXEVSA-N 2 1 292.379 1.577 20 10 CDCDMP Cc1cc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1Cl ZINC001234986402 943995985 /nfs/dbraw/zinc/99/59/85/943995985.db2.gz CREBZFFPMJRFFS-OAHLLOKOSA-N 2 1 295.814 1.491 20 10 CDCDMP CC(C)[N@H+](CCN)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235947216 944326473 /nfs/dbraw/zinc/32/64/73/944326473.db2.gz GMFQKYGFQQZHRT-UHFFFAOYSA-N 2 1 276.428 1.265 20 10 CDCDMP CC(C)[N@@H+](CCN)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235947216 944326481 /nfs/dbraw/zinc/32/64/81/944326481.db2.gz GMFQKYGFQQZHRT-UHFFFAOYSA-N 2 1 276.428 1.265 20 10 CDCDMP CC(C)[N@H+](CC[NH3+])Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235947216 944326493 /nfs/dbraw/zinc/32/64/93/944326493.db2.gz GMFQKYGFQQZHRT-UHFFFAOYSA-N 3 1 276.428 1.265 20 10 CDCDMP CC(C)[N@@H+](CC[NH3+])Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235947216 944326500 /nfs/dbraw/zinc/32/65/00/944326500.db2.gz GMFQKYGFQQZHRT-UHFFFAOYSA-N 3 1 276.428 1.265 20 10 CDCDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1O ZINC000183441837 391264766 /nfs/dbraw/zinc/26/47/66/391264766.db2.gz RZNRXFBVEDCCJT-ZDUSSCGKSA-N 2 1 278.396 1.890 20 10 CDCDMP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000062745043 287025780 /nfs/dbraw/zinc/02/57/80/287025780.db2.gz VZNQQPUIRCOEOH-CYBMUJFWSA-N 2 1 295.402 1.819 20 10 CDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000040592714 617418833 /nfs/dbraw/zinc/41/88/33/617418833.db2.gz OZVNDGHRANADNZ-LBPRGKRZSA-N 2 1 264.369 1.832 20 10 CDCDMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892431914 618195352 /nfs/dbraw/zinc/19/53/52/618195352.db2.gz FXOKDSBAXWXCCP-UHFFFAOYSA-N 2 1 294.395 1.983 20 10 CDCDMP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(Cl)c1O ZINC000809741297 1163081093 /nfs/dbraw/zinc/08/10/93/1163081093.db2.gz MERQOITVJJTPMI-UHFFFAOYSA-N 2 1 299.846 1.971 20 10 CDCDMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C)cc1O ZINC000794811683 1164610407 /nfs/dbraw/zinc/61/04/07/1164610407.db2.gz XWCBFVLPBUYHAS-OCCSQVGLSA-N 2 1 266.385 1.664 20 10 CDCDMP COc1ccc(O)c(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000131730275 1175786078 /nfs/dbraw/zinc/78/60/78/1175786078.db2.gz ZNQQQXGKUZCGPT-UHFFFAOYSA-N 2 1 264.369 1.927 20 10 CDCDMP COc1ccc(O)c(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000131730275 1175786084 /nfs/dbraw/zinc/78/60/84/1175786084.db2.gz ZNQQQXGKUZCGPT-UHFFFAOYSA-N 2 1 264.369 1.927 20 10 CDCDMP COC[C@]1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000817974194 784292274 /nfs/dbraw/zinc/29/22/74/784292274.db2.gz JDRCWKBLFUYMTL-MLGOLLRUSA-N 2 1 294.395 1.820 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000877022717 785011007 /nfs/dbraw/zinc/01/10/07/785011007.db2.gz QPNZZALTXCWWNW-ZIAGYGMSSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000877022717 785011017 /nfs/dbraw/zinc/01/10/17/785011017.db2.gz QPNZZALTXCWWNW-ZIAGYGMSSA-N 2 1 276.380 1.653 20 10 CDCDMP C[C@H](C[NH3+])C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000841047776 785639728 /nfs/dbraw/zinc/63/97/28/785639728.db2.gz CTJUPXGXTOXQNC-CQSZACIVSA-N 2 1 276.428 1.123 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000873215139 788061362 /nfs/dbraw/zinc/06/13/62/788061362.db2.gz AAFYJYMXLKYJAC-GOEBONIOSA-N 2 1 289.423 1.550 20 10 CDCDMP C[C@H](CCO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846112729 789805353 /nfs/dbraw/zinc/80/53/53/789805353.db2.gz XFGLPYBCWWKIPV-OAHLLOKOSA-N 2 1 291.439 1.641 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000163439512 908159724 /nfs/dbraw/zinc/15/97/24/908159724.db2.gz YVMHBBXRFPNAQF-YPMHNXCESA-N 2 1 264.369 1.818 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139256387 936611942 /nfs/dbraw/zinc/61/19/42/936611942.db2.gz ZRNVABHFGGCYEE-MRXNPFEDSA-N 2 1 294.395 1.419 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000131456862 930178914 /nfs/dbraw/zinc/17/89/14/930178914.db2.gz WXSGRLGZVMKQLB-ZYHUDNBSSA-N 2 1 250.342 1.712 20 10 CDCDMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205326061 939882046 /nfs/dbraw/zinc/88/20/46/939882046.db2.gz UIRZKGOUQOZSEK-OAHLLOKOSA-N 3 1 288.439 1.280 20 10 CDCDMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205326061 939882050 /nfs/dbraw/zinc/88/20/50/939882050.db2.gz UIRZKGOUQOZSEK-OAHLLOKOSA-N 3 1 288.439 1.280 20 10 CDCDMP [NH3+][C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001206197909 939996567 /nfs/dbraw/zinc/99/65/67/939996567.db2.gz KILYULKKVOOJCZ-UWVGGRQHSA-N 2 1 270.304 1.065 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001206197909 939996570 /nfs/dbraw/zinc/99/65/70/939996570.db2.gz KILYULKKVOOJCZ-UWVGGRQHSA-N 2 1 270.304 1.065 20 10 CDCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001206362758 940026284 /nfs/dbraw/zinc/02/62/84/940026284.db2.gz QPRFOTGCRIRQKH-AWEZNQCLSA-N 2 1 284.331 1.456 20 10 CDCDMP COC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001255563697 947988095 /nfs/dbraw/zinc/98/80/95/947988095.db2.gz XAUIOKFUAHSJPM-ZDUSSCGKSA-N 2 1 278.396 1.981 20 10 CDCDMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(O)c1OC ZINC000892454426 618220250 /nfs/dbraw/zinc/22/02/50/618220250.db2.gz NSQOSEBQZICGPF-UHFFFAOYSA-N 2 1 280.368 1.593 20 10 CDCDMP COc1cc(C)cc(C[NH2+]C2CC[NH+](C)CC2)c1O ZINC000894152164 618631279 /nfs/dbraw/zinc/63/12/79/618631279.db2.gz HLMHPZNMVSSXLG-UHFFFAOYSA-N 2 1 264.369 1.893 20 10 CDCDMP COC[C@]1(C[NH2+]Cc2ccccc2O)CCC[NH2+]1 ZINC000841067917 618680994 /nfs/dbraw/zinc/68/09/94/618680994.db2.gz QOJZIFJOYXMYAY-CQSZACIVSA-N 2 1 250.342 1.250 20 10 CDCDMP CCN(C)c1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC001577658287 1171713324 /nfs/dbraw/zinc/71/33/24/1171713324.db2.gz ZRHBBNAZUQSQNB-UHFFFAOYSA-N 2 1 265.401 1.550 20 10 CDCDMP CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(O)CC[NH2+]C2)cc1 ZINC001578425863 1171905353 /nfs/dbraw/zinc/90/53/53/1171905353.db2.gz PPCYEJATVQIHQD-QDLOVBKTSA-N 2 1 275.396 1.080 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000702575087 790315712 /nfs/dbraw/zinc/31/57/12/790315712.db2.gz VWCYAEMCJLBLRY-ABAIWWIYSA-N 2 1 280.368 1.118 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000702575087 790315717 /nfs/dbraw/zinc/31/57/17/790315717.db2.gz VWCYAEMCJLBLRY-ABAIWWIYSA-N 2 1 280.368 1.118 20 10 CDCDMP COC[C@@H]1CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816636920 790889795 /nfs/dbraw/zinc/88/97/95/790889795.db2.gz LXBXFNPETDXPCW-KRWDZBQOSA-N 2 1 289.423 1.659 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843120179 791145502 /nfs/dbraw/zinc/14/55/02/791145502.db2.gz MOXBNTQSUCTTHG-UHFFFAOYSA-N 2 1 276.380 1.976 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1O ZINC000228535561 789859925 /nfs/dbraw/zinc/85/99/25/789859925.db2.gz MKWMTDCGXFYMIS-IACUBPJLSA-N 2 1 276.380 1.960 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH2+]C)C2)c1 ZINC000843052975 790054934 /nfs/dbraw/zinc/05/49/34/790054934.db2.gz RJUHIHVXTWAZJB-LBPRGKRZSA-N 2 1 264.369 1.832 20 10 CDCDMP Oc1cc2c(cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1)OCO2 ZINC000843044083 791386313 /nfs/dbraw/zinc/38/63/13/791386313.db2.gz SFVGEZVBEYJLTP-UHFFFAOYSA-N 2 1 290.363 1.837 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000094338958 791863744 /nfs/dbraw/zinc/86/37/44/791863744.db2.gz JIUNNCYRRLJJGT-DGCLKSJQSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000843052042 792128304 /nfs/dbraw/zinc/12/83/04/792128304.db2.gz OYTSXZRJJGUCOF-VXGBXAGGSA-N 2 1 294.395 1.969 20 10 CDCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c(O)c1 ZINC000788593178 792996610 /nfs/dbraw/zinc/99/66/10/792996610.db2.gz FUDIBJIWDKGHQO-STQMWFEESA-N 2 1 266.385 1.582 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000851900169 793830523 /nfs/dbraw/zinc/83/05/23/793830523.db2.gz QLRWOVWOBIGQRP-CHWSQXEVSA-N 2 1 296.411 1.753 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000851900169 793830524 /nfs/dbraw/zinc/83/05/24/793830524.db2.gz QLRWOVWOBIGQRP-CHWSQXEVSA-N 2 1 296.411 1.753 20 10 CDCDMP COc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226769 794903556 /nfs/dbraw/zinc/90/35/56/794903556.db2.gz ZACXCPIBEHGVTH-DOMZBBRYSA-N 2 1 262.353 1.714 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226769 794903571 /nfs/dbraw/zinc/90/35/71/794903571.db2.gz ZACXCPIBEHGVTH-DOMZBBRYSA-N 2 1 262.353 1.714 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000775677558 794981644 /nfs/dbraw/zinc/98/16/44/794981644.db2.gz OBXWAPFXPNJIHH-KRWDZBQOSA-N 2 1 289.423 1.659 20 10 CDCDMP Oc1ccc(F)cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312442852 795403011 /nfs/dbraw/zinc/40/30/11/795403011.db2.gz XFHFONOZUSWNDP-AWEZNQCLSA-N 2 1 279.359 1.011 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000843120433 795825047 /nfs/dbraw/zinc/82/50/47/795825047.db2.gz KOFAFAGDLSSGMP-MRXNPFEDSA-N 2 1 292.379 1.595 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000843120433 795825048 /nfs/dbraw/zinc/82/50/48/795825048.db2.gz KOFAFAGDLSSGMP-MRXNPFEDSA-N 2 1 292.379 1.595 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)CC[C@H]1C[NH3+] ZINC001205627703 939910397 /nfs/dbraw/zinc/91/03/97/939910397.db2.gz RTVLXLSNAMYKTE-RYUDHWBXSA-N 2 1 264.369 1.905 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC001206468463 940044651 /nfs/dbraw/zinc/04/46/51/940044651.db2.gz INRAGBOFAYNRON-DOTOQJQBSA-N 2 1 289.423 1.428 20 10 CDCDMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231640197 942955548 /nfs/dbraw/zinc/95/55/48/942955548.db2.gz QTJQJYSQLPGQGR-STQMWFEESA-N 2 1 292.379 1.490 20 10 CDCDMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(OC)c(O)cc3O)C[C@H]2C1 ZINC001231640196 942955784 /nfs/dbraw/zinc/95/57/84/942955784.db2.gz QTJQJYSQLPGQGR-CHWSQXEVSA-N 2 1 292.379 1.490 20 10 CDCDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231640195 942957103 /nfs/dbraw/zinc/95/71/03/942957103.db2.gz QTJQJYSQLPGQGR-BETUJISGSA-N 2 1 292.379 1.490 20 10 CDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231640195 942957109 /nfs/dbraw/zinc/95/71/09/942957109.db2.gz QTJQJYSQLPGQGR-BETUJISGSA-N 2 1 292.379 1.490 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231640195 942957114 /nfs/dbraw/zinc/95/71/14/942957114.db2.gz QTJQJYSQLPGQGR-BETUJISGSA-N 2 1 292.379 1.490 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231640195 942957116 /nfs/dbraw/zinc/95/71/16/942957116.db2.gz QTJQJYSQLPGQGR-BETUJISGSA-N 2 1 292.379 1.490 20 10 CDCDMP Nc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC001356083492 969329281 /nfs/dbraw/zinc/32/92/81/969329281.db2.gz PQNNCRMOWUMCDL-UAGQMJEPSA-N 2 1 289.423 1.987 20 10 CDCDMP C[NH+](C)CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000265216640 524053538 /nfs/dbraw/zinc/05/35/38/524053538.db2.gz FRIOPOXBUVWWFL-UHFFFAOYSA-N 2 1 291.439 1.907 20 10 CDCDMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000265216640 524053541 /nfs/dbraw/zinc/05/35/41/524053541.db2.gz FRIOPOXBUVWWFL-UHFFFAOYSA-N 2 1 291.439 1.907 20 10 CDCDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000904449783 626300325 /nfs/dbraw/zinc/30/03/25/626300325.db2.gz NCGNCACLRBCDPA-UHFFFAOYSA-N 2 1 279.359 1.243 20 10 CDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000071141866 796481424 /nfs/dbraw/zinc/48/14/24/796481424.db2.gz JQTFQLKRQPDKHG-LLVKDONJSA-N 2 1 250.342 1.442 20 10 CDCDMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000883161076 796842628 /nfs/dbraw/zinc/84/26/28/796842628.db2.gz JCMYEDVHGIXTSN-INIZCTEOSA-N 2 1 292.423 1.804 20 10 CDCDMP CCOc1ccc(C[N@@H+](C)CCOCC[NH3+])c(O)c1 ZINC000863649731 797560004 /nfs/dbraw/zinc/56/00/04/797560004.db2.gz HDUVTAVNGNMSEK-UHFFFAOYSA-N 2 1 268.357 1.198 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000817955210 797698474 /nfs/dbraw/zinc/69/84/74/797698474.db2.gz SMFANZUUKVSMOA-RYUDHWBXSA-N 2 1 292.379 1.829 20 10 CDCDMP Cc1cc(C)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205240760 919364688 /nfs/dbraw/zinc/36/46/88/919364688.db2.gz NXWVYYNDLUVXHD-INIZCTEOSA-N 2 1 278.396 1.685 20 10 CDCDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843047174 937106070 /nfs/dbraw/zinc/10/60/70/937106070.db2.gz HZBXJHPIGOTYHV-JTQLQIEISA-N 2 1 264.325 1.292 20 10 CDCDMP Oc1ccccc1C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000843356398 937142141 /nfs/dbraw/zinc/14/21/41/937142141.db2.gz MWEBEJLKGJITMZ-HOCLYGCPSA-N 2 1 290.407 1.983 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857225993 928681594 /nfs/dbraw/zinc/68/15/94/928681594.db2.gz CLHVGJZAHOMTET-IUODEOHRSA-N 2 1 262.353 1.714 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857225993 928681597 /nfs/dbraw/zinc/68/15/97/928681597.db2.gz CLHVGJZAHOMTET-IUODEOHRSA-N 2 1 262.353 1.714 20 10 CDCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205967652 930140449 /nfs/dbraw/zinc/14/04/49/930140449.db2.gz TZJSXXZLXSPDEG-UKRRQHHQSA-N 2 1 278.396 1.584 20 10 CDCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205967652 930140453 /nfs/dbraw/zinc/14/04/53/930140453.db2.gz TZJSXXZLXSPDEG-UKRRQHHQSA-N 2 1 278.396 1.584 20 10 CDCDMP CCC[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1O ZINC001118197761 937601417 /nfs/dbraw/zinc/60/14/17/937601417.db2.gz BJJOQXUSCITANI-UHFFFAOYSA-N 2 1 291.395 1.036 20 10 CDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205109180 939822640 /nfs/dbraw/zinc/82/26/40/939822640.db2.gz CANOISCHVCNHFC-SECBINFHSA-N 2 1 252.314 1.117 20 10 CDCDMP COc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC001205150745 939829805 /nfs/dbraw/zinc/82/98/05/939829805.db2.gz JIAKGBLROLHPQR-NWDGAFQWSA-N 2 1 264.369 1.736 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(O)cc1O ZINC001206012132 939966941 /nfs/dbraw/zinc/96/69/41/939966941.db2.gz JCEHAPKPIDPMNM-VXGBXAGGSA-N 2 1 294.395 1.913 20 10 CDCDMP Nc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235410685 944148053 /nfs/dbraw/zinc/14/80/53/944148053.db2.gz YDZSKUBGPDHECA-LSDHHAIUSA-N 2 1 263.360 1.792 20 10 CDCDMP CCOc1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235993620 944361302 /nfs/dbraw/zinc/36/13/02/944361302.db2.gz SKJFTHNAAYQKNT-NNQSOWQGSA-N 2 1 292.379 1.196 20 10 CDCDMP Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1O ZINC001236314668 944465736 /nfs/dbraw/zinc/46/57/36/944465736.db2.gz ROKNLAXUXAJKGU-BETUJISGSA-N 2 1 262.353 1.529 20 10 CDCDMP CC[N@@H+](Cc1ccccc1O)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246867104 948493970 /nfs/dbraw/zinc/49/39/70/948493970.db2.gz WTSXUYQCVLNUSB-CQSZACIVSA-N 2 1 275.396 1.308 20 10 CDCDMP COc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000312742355 260195691 /nfs/dbraw/zinc/19/56/91/260195691.db2.gz VODJJJJNDCHQEQ-MRXNPFEDSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000312742355 260195693 /nfs/dbraw/zinc/19/56/93/260195693.db2.gz VODJJJJNDCHQEQ-MRXNPFEDSA-N 2 1 276.380 1.928 20 10 CDCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(O)c1C ZINC000756554803 576995441 /nfs/dbraw/zinc/99/54/41/576995441.db2.gz JEMUODOSNHXXPQ-QWHCGFSZSA-N 2 1 266.385 1.582 20 10 CDCDMP CCOc1ccc(O)c(C[N@@H+](C)CCC[NH2+]C)c1 ZINC000841104410 618683081 /nfs/dbraw/zinc/68/30/81/618683081.db2.gz QOWQKNKNLZGWKC-UHFFFAOYSA-N 2 1 252.358 1.832 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000126851249 805252068 /nfs/dbraw/zinc/25/20/68/805252068.db2.gz RTAFIZSKVRCCAS-NEPJUHHUSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000843126587 812353559 /nfs/dbraw/zinc/35/35/59/812353559.db2.gz KYOKGEFZRDFVRA-AAEUAGOBSA-N 2 1 292.379 1.593 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000843126587 812353569 /nfs/dbraw/zinc/35/35/69/812353569.db2.gz KYOKGEFZRDFVRA-AAEUAGOBSA-N 2 1 292.379 1.593 20 10 CDCDMP COc1c(O)c(C[NH2+][C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000841081293 814377954 /nfs/dbraw/zinc/37/79/54/814377954.db2.gz SRQWDCYXIMZKBK-VIFPVBQESA-N 2 1 283.328 1.526 20 10 CDCDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843051078 814592644 /nfs/dbraw/zinc/59/26/44/814592644.db2.gz DHWMANPGQLNWPL-MNOVXSKESA-N 2 1 278.352 1.680 20 10 CDCDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112401 931666308 /nfs/dbraw/zinc/66/63/08/931666308.db2.gz DJVSCPWNIPSRKM-MRXNPFEDSA-N 2 1 292.379 1.721 20 10 CDCDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112401 931666311 /nfs/dbraw/zinc/66/63/11/931666311.db2.gz DJVSCPWNIPSRKM-MRXNPFEDSA-N 2 1 292.379 1.721 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001205221170 939837185 /nfs/dbraw/zinc/83/71/85/939837185.db2.gz QHXFLQLUJUSUOZ-CQSZACIVSA-N 2 1 268.332 1.207 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001205221170 939837188 /nfs/dbraw/zinc/83/71/88/939837188.db2.gz QHXFLQLUJUSUOZ-CQSZACIVSA-N 2 1 268.332 1.207 20 10 CDCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(N)cc1 ZINC001345159337 964611419 /nfs/dbraw/zinc/61/14/19/964611419.db2.gz GLVHDQFPPRSGFF-IKGGRYGDSA-N 2 1 289.423 1.952 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000125527250 525951383 /nfs/dbraw/zinc/95/13/83/525951383.db2.gz CMMPQWKHVLJIBA-GFCCVEGCSA-N 2 1 264.369 1.784 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc[nH]n3)cc2)CC1 ZINC000771829149 575622072 /nfs/dbraw/zinc/62/20/72/575622072.db2.gz HMZWPMVRTVYDRD-UHFFFAOYSA-N 2 1 285.395 1.451 20 10 CDCDMP COc1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000841045219 618678600 /nfs/dbraw/zinc/67/86/00/618678600.db2.gz PMIFJOPQKFJRQJ-AWEZNQCLSA-N 2 1 275.396 1.616 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000841100853 618682182 /nfs/dbraw/zinc/68/21/82/618682182.db2.gz MCUUIYIJNRTHFD-AAEUAGOBSA-N 2 1 294.395 1.826 20 10 CDCDMP COc1c(O)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843129944 618694441 /nfs/dbraw/zinc/69/44/41/618694441.db2.gz VBENRVGXXFJTRZ-RKDXNWHRSA-N 2 1 283.328 1.524 20 10 CDCDMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000044534394 630549316 /nfs/dbraw/zinc/54/93/16/630549316.db2.gz PCXNQGZYYRIMKT-LBPRGKRZSA-N 2 1 264.369 1.832 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(O)c1 ZINC001579144437 1172105425 /nfs/dbraw/zinc/10/54/25/1172105425.db2.gz GJYOMLCPBNDRRQ-SWLSCSKDSA-N 2 1 276.380 1.893 20 10 CDCDMP COc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000162640139 1180190026 /nfs/dbraw/zinc/19/00/26/1180190026.db2.gz IQUDBGPWVKOPCR-GDBMZVCRSA-N 2 1 289.423 1.958 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(O)c1 ZINC000843116258 818011453 /nfs/dbraw/zinc/01/14/53/818011453.db2.gz KDXQJGOLIYCFEB-OAHLLOKOSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000841086994 819361026 /nfs/dbraw/zinc/36/10/26/819361026.db2.gz HMVNFKNFSATLAT-ZDUSSCGKSA-N 2 1 252.358 1.864 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000251799429 820886626 /nfs/dbraw/zinc/88/66/26/820886626.db2.gz NWELMVBKDFDFAQ-ZYHUDNBSSA-N 2 1 250.342 1.570 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000311856401 821807925 /nfs/dbraw/zinc/80/79/25/821807925.db2.gz JTKAENINWNAOGU-RISCZKNCSA-N 2 1 262.353 1.585 20 10 CDCDMP C[C@H]1COCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775655254 821857973 /nfs/dbraw/zinc/85/79/73/821857973.db2.gz XBFVYRQPKBBPSG-HNNXBMFYSA-N 2 1 289.423 1.659 20 10 CDCDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000858245311 821872790 /nfs/dbraw/zinc/87/27/90/821872790.db2.gz PUFMWUYUMMMFAG-LBPRGKRZSA-N 2 1 292.379 1.942 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000843050992 822209245 /nfs/dbraw/zinc/20/92/45/822209245.db2.gz CXMNJHCDDMFUPZ-JQWIXIFHSA-N 2 1 280.368 1.579 20 10 CDCDMP Oc1ccc(Cl)cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312416412 899813298 /nfs/dbraw/zinc/81/32/98/899813298.db2.gz SMJHOJIEKQKFQA-CQSZACIVSA-N 2 1 295.814 1.525 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001203681252 920978390 /nfs/dbraw/zinc/97/83/90/920978390.db2.gz RILWPCQQEGMPLQ-CZUORRHYSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001203681252 920978395 /nfs/dbraw/zinc/97/83/95/920978395.db2.gz RILWPCQQEGMPLQ-CZUORRHYSA-N 2 1 276.380 1.784 20 10 CDCDMP CC[N@@H+]1C[C@H]2CN(Cc3cc(O)ccc3O)C[C@H]2C1 ZINC001141162865 936823779 /nfs/dbraw/zinc/82/37/79/936823779.db2.gz IMNRWMPVGZIQOO-BETUJISGSA-N 2 1 262.353 1.481 20 10 CDCDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162865 936823780 /nfs/dbraw/zinc/82/37/80/936823780.db2.gz IMNRWMPVGZIQOO-BETUJISGSA-N 2 1 262.353 1.481 20 10 CDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162865 936823782 /nfs/dbraw/zinc/82/37/82/936823782.db2.gz IMNRWMPVGZIQOO-BETUJISGSA-N 2 1 262.353 1.481 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162865 936823783 /nfs/dbraw/zinc/82/37/83/936823783.db2.gz IMNRWMPVGZIQOO-BETUJISGSA-N 2 1 262.353 1.481 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162865 936823785 /nfs/dbraw/zinc/82/37/85/936823785.db2.gz IMNRWMPVGZIQOO-BETUJISGSA-N 2 1 262.353 1.481 20 10 CDCDMP CC(C)C[C@@H](C[NH3+])NCc1ccc(N2CCOCC2)cc1 ZINC000841038605 936973197 /nfs/dbraw/zinc/97/31/97/936973197.db2.gz LSRZWEYKWCWTJU-INIZCTEOSA-N 2 1 291.439 1.986 20 10 CDCDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841038605 936973199 /nfs/dbraw/zinc/97/31/99/936973199.db2.gz LSRZWEYKWCWTJU-INIZCTEOSA-N 2 1 291.439 1.986 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000843050990 937107286 /nfs/dbraw/zinc/10/72/86/937107286.db2.gz CXMNJHCDDMFUPZ-CMPLNLGQSA-N 2 1 280.368 1.579 20 10 CDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144515566 931881207 /nfs/dbraw/zinc/88/12/07/931881207.db2.gz CEJYQJXTTUFZCB-PHIMTYICSA-N 2 1 278.352 1.187 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144515566 931881212 /nfs/dbraw/zinc/88/12/12/931881212.db2.gz CEJYQJXTTUFZCB-PHIMTYICSA-N 2 1 278.352 1.187 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144515566 931881214 /nfs/dbraw/zinc/88/12/14/931881214.db2.gz CEJYQJXTTUFZCB-PHIMTYICSA-N 2 1 278.352 1.187 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CCC[C@H]1C[NH3+] ZINC001206003352 939966666 /nfs/dbraw/zinc/96/66/66/939966666.db2.gz HAUAMIHRQXEEJO-RYUDHWBXSA-N 2 1 264.369 1.905 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206175677 939991589 /nfs/dbraw/zinc/99/15/89/939991589.db2.gz XCIGIWRGPYLPCJ-VXGBXAGGSA-N 2 1 268.332 1.667 20 10 CDCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001206318240 940017095 /nfs/dbraw/zinc/01/70/95/940017095.db2.gz OGLRKNRLOMWXAB-OAHLLOKOSA-N 2 1 280.368 1.754 20 10 CDCDMP Oc1cccc(F)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314428 944464714 /nfs/dbraw/zinc/46/47/14/944464714.db2.gz DZYKFCZQLRGQCZ-TXEJJXNPSA-N 2 1 264.344 1.963 20 10 CDCDMP Oc1cccc(F)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314428 944464717 /nfs/dbraw/zinc/46/47/17/944464717.db2.gz DZYKFCZQLRGQCZ-TXEJJXNPSA-N 2 1 264.344 1.963 20 10 CDCDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872102 364106977 /nfs/dbraw/zinc/10/69/77/364106977.db2.gz VKPDAWULDYRDIF-RHSMWYFYSA-N 2 1 291.439 1.860 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(O)c1O ZINC001205994064 1161989373 /nfs/dbraw/zinc/98/93/73/1161989373.db2.gz IVUBJFLSMSDZFV-YPMHNXCESA-N 2 1 294.395 1.913 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCC[C@H]1C[NH3+] ZINC001206026453 1162024678 /nfs/dbraw/zinc/02/46/78/1162024678.db2.gz SEHDFNWKJNHGSN-QWRGUYRKSA-N 2 1 280.368 1.610 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000125526998 525952330 /nfs/dbraw/zinc/95/23/30/525952330.db2.gz CMMPQWKHVLJIBA-LBPRGKRZSA-N 2 1 264.369 1.784 20 10 CDCDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790183 576672702 /nfs/dbraw/zinc/67/27/02/576672702.db2.gz XZZJBQCTCSUADW-DLBZAZTESA-N 2 1 291.439 1.860 20 10 CDCDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790183 576672704 /nfs/dbraw/zinc/67/27/04/576672704.db2.gz XZZJBQCTCSUADW-DLBZAZTESA-N 2 1 291.439 1.860 20 10 CDCDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841070340 618681395 /nfs/dbraw/zinc/68/13/95/618681395.db2.gz PPHOVEUQFQLSHW-AWEZNQCLSA-N 2 1 263.385 1.350 20 10 CDCDMP COc1cc(C)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC000894582393 618975649 /nfs/dbraw/zinc/97/56/49/618975649.db2.gz ZGANSTBLBHMDRN-OKILXGFUSA-N 2 1 276.380 1.703 20 10 CDCDMP COc1cc(C)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC000894582393 618975650 /nfs/dbraw/zinc/97/56/50/618975650.db2.gz ZGANSTBLBHMDRN-OKILXGFUSA-N 2 1 276.380 1.703 20 10 CDCDMP CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)CC[C@H]1[NH3+] ZINC000251657117 825047705 /nfs/dbraw/zinc/04/77/05/825047705.db2.gz GVYCIIRBVMDGLD-DGCLKSJQSA-N 2 1 264.369 1.960 20 10 CDCDMP C[N@@H+](C[C@H](O)CNCc1ccc2c(c1)CCO2)C1CC1 ZINC000818996264 825801634 /nfs/dbraw/zinc/80/16/34/825801634.db2.gz CYDYSZIWQJVRIH-OAHLLOKOSA-N 2 1 276.380 1.166 20 10 CDCDMP CN(C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000818996264 825801638 /nfs/dbraw/zinc/80/16/38/825801638.db2.gz CYDYSZIWQJVRIH-OAHLLOKOSA-N 2 1 276.380 1.166 20 10 CDCDMP CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000381306119 826413103 /nfs/dbraw/zinc/41/31/03/826413103.db2.gz OITSLYAJKJYMNF-AYIQCDPPSA-N 2 1 271.408 1.839 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000699501895 913886778 /nfs/dbraw/zinc/88/67/78/913886778.db2.gz VNPAPCTYBMSEQH-UHFFFAOYSA-N 2 1 251.374 1.160 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206155603 911199565 /nfs/dbraw/zinc/19/95/65/911199565.db2.gz MPTBFYLGRQKJCW-STQMWFEESA-N 2 1 268.332 1.662 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139257311 936611754 /nfs/dbraw/zinc/61/17/54/936611754.db2.gz XOCCOPMDYGJSHM-GFCCVEGCSA-N 2 1 294.395 1.277 20 10 CDCDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)C3COC3)cc2)CC1 ZINC001140304444 936699607 /nfs/dbraw/zinc/69/96/07/936699607.db2.gz PWPUQUALPZYSTD-UHFFFAOYSA-N 2 1 289.423 1.659 20 10 CDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C3COC3)cc2)CC1 ZINC001140304444 936699608 /nfs/dbraw/zinc/69/96/08/936699608.db2.gz PWPUQUALPZYSTD-UHFFFAOYSA-N 2 1 289.423 1.659 20 10 CDCDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001275112831 931665651 /nfs/dbraw/zinc/66/56/51/931665651.db2.gz TUUWXIRIAQVPKB-UHFFFAOYSA-N 2 1 292.379 1.721 20 10 CDCDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516531 940166681 /nfs/dbraw/zinc/16/66/81/940166681.db2.gz GLQGUAXCPLIRSQ-INIZCTEOSA-N 2 1 292.379 1.721 20 10 CDCDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516531 940166682 /nfs/dbraw/zinc/16/66/82/940166682.db2.gz GLQGUAXCPLIRSQ-INIZCTEOSA-N 2 1 292.379 1.721 20 10 CDCDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516531 940166683 /nfs/dbraw/zinc/16/66/83/940166683.db2.gz GLQGUAXCPLIRSQ-INIZCTEOSA-N 2 1 292.379 1.721 20 10 CDCDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516531 940166685 /nfs/dbraw/zinc/16/66/85/940166685.db2.gz GLQGUAXCPLIRSQ-INIZCTEOSA-N 2 1 292.379 1.721 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237403232 944755966 /nfs/dbraw/zinc/75/59/66/944755966.db2.gz KGVGEZNEXFBATR-GXTWGEPZSA-N 2 1 276.380 1.980 20 10 CDCDMP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001254497030 947455112 /nfs/dbraw/zinc/45/51/12/947455112.db2.gz FGIBMRGBGLXQAW-WFASDCNBSA-N 2 1 280.368 1.205 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001331417913 957038658 /nfs/dbraw/zinc/03/86/58/957038658.db2.gz DQIISZWDGXHTTP-KRWDZBQOSA-N 2 1 289.423 1.836 20 10 CDCDMP COc1c(O)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843056950 618691077 /nfs/dbraw/zinc/69/10/77/618691077.db2.gz DCSRJWJQSMDUFD-UWVGGRQHSA-N 2 1 295.339 1.478 20 10 CDCDMP COc1c(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843056950 618691080 /nfs/dbraw/zinc/69/10/80/618691080.db2.gz DCSRJWJQSMDUFD-UWVGGRQHSA-N 2 1 295.339 1.478 20 10 CDCDMP COc1c(O)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000843056952 618691444 /nfs/dbraw/zinc/69/14/44/618691444.db2.gz DCSRJWJQSMDUFD-ZJUUUORDSA-N 2 1 295.339 1.478 20 10 CDCDMP COc1c(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000843056952 618691446 /nfs/dbraw/zinc/69/14/46/618691446.db2.gz DCSRJWJQSMDUFD-ZJUUUORDSA-N 2 1 295.339 1.478 20 10 CDCDMP [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420449 626295072 /nfs/dbraw/zinc/29/50/72/626295072.db2.gz OUTWGUHEIWKWSK-CMPLNLGQSA-N 2 1 250.317 1.573 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000817984347 830328334 /nfs/dbraw/zinc/32/83/34/830328334.db2.gz QQSRVZUQPNIWCQ-NSHDSACASA-N 2 1 292.379 1.972 20 10 CDCDMP C[NH2+]CCC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000846225124 832092013 /nfs/dbraw/zinc/09/20/13/832092013.db2.gz JIYMVJGXXWXBGF-UHFFFAOYSA-N 2 1 265.401 1.673 20 10 CDCDMP CN(C)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1F ZINC000843047700 832220560 /nfs/dbraw/zinc/22/05/60/832220560.db2.gz WPYNOUHBJBGEGK-UHFFFAOYSA-N 2 1 251.349 1.815 20 10 CDCDMP Oc1c(F)cccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841077743 832488153 /nfs/dbraw/zinc/48/81/53/832488153.db2.gz CJWNMZWMIRHBMH-GFCCVEGCSA-N 2 1 250.317 1.763 20 10 CDCDMP C[N@@H+](CCC[NH3+])Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843050626 834807653 /nfs/dbraw/zinc/80/76/53/834807653.db2.gz MRLVKGZPSXYQAP-UHFFFAOYSA-N 2 1 281.375 1.443 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)CC[C@H]1F ZINC001206175257 911916437 /nfs/dbraw/zinc/91/64/37/911916437.db2.gz TWBJJYCFKWMROV-VXGBXAGGSA-N 2 1 254.305 1.359 20 10 CDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141158114 936822459 /nfs/dbraw/zinc/82/24/59/936822459.db2.gz UMXVYRARJBKWMB-YPMHNXCESA-N 2 1 262.353 1.481 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141158114 936822460 /nfs/dbraw/zinc/82/24/60/936822460.db2.gz UMXVYRARJBKWMB-YPMHNXCESA-N 2 1 262.353 1.481 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141158114 936822463 /nfs/dbraw/zinc/82/24/63/936822463.db2.gz UMXVYRARJBKWMB-YPMHNXCESA-N 2 1 262.353 1.481 20 10 CDCDMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001206633699 937227911 /nfs/dbraw/zinc/22/79/11/937227911.db2.gz ZLWWYYJJPRLYJK-JTQLQIEISA-N 2 1 266.341 1.364 20 10 CDCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001206633699 937227913 /nfs/dbraw/zinc/22/79/13/937227913.db2.gz ZLWWYYJJPRLYJK-JTQLQIEISA-N 2 1 266.341 1.364 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205117931 939824639 /nfs/dbraw/zinc/82/46/39/939824639.db2.gz ZFLYDVKOBMJVSG-CYBMUJFWSA-N 2 1 263.385 1.771 20 10 CDCDMP CCOc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205247797 939842046 /nfs/dbraw/zinc/84/20/46/939842046.db2.gz JLRWABRYPFJWTH-INIZCTEOSA-N 2 1 294.395 1.467 20 10 CDCDMP Nc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205788576 939936302 /nfs/dbraw/zinc/93/63/02/939936302.db2.gz PFZNDHVCPFKBNV-NSHDSACASA-N 2 1 255.312 1.685 20 10 CDCDMP Nc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205788576 939936306 /nfs/dbraw/zinc/93/63/06/939936306.db2.gz PFZNDHVCPFKBNV-NSHDSACASA-N 2 1 255.312 1.685 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)cc1O ZINC001231638964 942955046 /nfs/dbraw/zinc/95/50/46/942955046.db2.gz JCYDATAYGDYBAM-INIZCTEOSA-N 2 1 292.379 1.634 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)cc1O ZINC001231638964 942955049 /nfs/dbraw/zinc/95/50/49/942955049.db2.gz JCYDATAYGDYBAM-INIZCTEOSA-N 2 1 292.379 1.634 20 10 CDCDMP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)cc1O ZINC001231638964 942955053 /nfs/dbraw/zinc/95/50/53/942955053.db2.gz JCYDATAYGDYBAM-INIZCTEOSA-N 2 1 292.379 1.634 20 10 CDCDMP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)cc1O ZINC001231638964 942955056 /nfs/dbraw/zinc/95/50/56/942955056.db2.gz JCYDATAYGDYBAM-INIZCTEOSA-N 2 1 292.379 1.634 20 10 CDCDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)CC1 ZINC001233486173 943594020 /nfs/dbraw/zinc/59/40/20/943594020.db2.gz BHUZEURVBQAEIV-UHFFFAOYSA-N 2 1 292.379 1.721 20 10 CDCDMP Oc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(O)c1 ZINC001236322430 944471451 /nfs/dbraw/zinc/47/14/51/944471451.db2.gz WWZQQCOSXHXANM-PHIMTYICSA-N 2 1 278.352 1.235 20 10 CDCDMP COc1cc(O)c(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000271868285 365002377 /nfs/dbraw/zinc/00/23/77/365002377.db2.gz WYDDQEDKOWKIPU-UHFFFAOYSA-N 2 1 292.379 1.761 20 10 CDCDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000172507315 391854738 /nfs/dbraw/zinc/85/47/38/391854738.db2.gz PNFLGFVMYKRWJT-LLVKDONJSA-N 2 1 278.352 1.504 20 10 CDCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000172507315 391854740 /nfs/dbraw/zinc/85/47/40/391854740.db2.gz PNFLGFVMYKRWJT-LLVKDONJSA-N 2 1 278.352 1.504 20 10 CDCDMP C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1C[NH3+] ZINC000841100536 618682171 /nfs/dbraw/zinc/68/21/71/618682171.db2.gz HCLNCBUIHSIMGI-PWSUYJOCSA-N 2 1 252.333 1.948 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C[NH3+] ZINC000841100536 618682173 /nfs/dbraw/zinc/68/21/73/618682173.db2.gz HCLNCBUIHSIMGI-PWSUYJOCSA-N 2 1 252.333 1.948 20 10 CDCDMP CCOc1ccc(O)c(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000841101197 618683358 /nfs/dbraw/zinc/68/33/58/618683358.db2.gz RMAHHCZQDWEEJN-AWEZNQCLSA-N 2 1 280.368 1.341 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000841101197 618683361 /nfs/dbraw/zinc/68/33/61/618683361.db2.gz RMAHHCZQDWEEJN-AWEZNQCLSA-N 2 1 280.368 1.341 20 10 CDCDMP COc1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)cc1C ZINC000702641464 837393674 /nfs/dbraw/zinc/39/36/74/837393674.db2.gz MMMZQYKSBOEZEQ-OAHLLOKOSA-N 2 1 264.369 1.160 20 10 CDCDMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000702641464 837393679 /nfs/dbraw/zinc/39/36/79/837393679.db2.gz MMMZQYKSBOEZEQ-OAHLLOKOSA-N 2 1 264.369 1.160 20 10 CDCDMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000702641464 837393697 /nfs/dbraw/zinc/39/36/97/837393697.db2.gz MMMZQYKSBOEZEQ-OAHLLOKOSA-N 2 1 264.369 1.160 20 10 CDCDMP COc1c(O)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000841059164 835888987 /nfs/dbraw/zinc/88/89/87/835888987.db2.gz ZZFURLNAFYKLOL-WDEREUQCSA-N 2 1 295.339 1.669 20 10 CDCDMP COc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000051889305 836313355 /nfs/dbraw/zinc/31/33/55/836313355.db2.gz GCXRXIRVLMQFKX-CQSZACIVSA-N 2 1 275.396 1.427 20 10 CDCDMP COc1c(O)c(C[NH2+][C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000841081292 836824056 /nfs/dbraw/zinc/82/40/56/836824056.db2.gz SRQWDCYXIMZKBK-SECBINFHSA-N 2 1 283.328 1.526 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CCC[NH3+])c1 ZINC000817977378 838739563 /nfs/dbraw/zinc/73/95/63/838739563.db2.gz JBNBVKFWWOPKQQ-MNOVXSKESA-N 2 1 280.368 1.957 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000843052856 839158380 /nfs/dbraw/zinc/15/83/80/839158380.db2.gz WSMMSBBTPOIZII-RHSMWYFYSA-N 2 1 289.423 1.692 20 10 CDCDMP COC[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC[NH2+]1 ZINC000817975027 839843204 /nfs/dbraw/zinc/84/32/04/839843204.db2.gz QBFFNHNNGLXKHD-BBRMVZONSA-N 2 1 276.380 1.738 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1(CO)CC1 ZINC000827903596 840753818 /nfs/dbraw/zinc/75/38/18/840753818.db2.gz LGXRBABGHJVQNN-UHFFFAOYSA-N 2 1 289.423 1.395 20 10 CDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843051623 841295458 /nfs/dbraw/zinc/29/54/58/841295458.db2.gz ACRMWGPGZUYHFI-NSHDSACASA-N 2 1 280.368 1.451 20 10 CDCDMP C[C@H](CO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809746721 841537313 /nfs/dbraw/zinc/53/73/13/841537313.db2.gz ZPISNUZREFSVJV-CQSZACIVSA-N 2 1 277.412 1.251 20 10 CDCDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000705720940 841861000 /nfs/dbraw/zinc/86/10/00/841861000.db2.gz ZEPNVOWINIKEHR-WFASDCNBSA-N 2 1 262.353 1.036 20 10 CDCDMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000705720940 841861004 /nfs/dbraw/zinc/86/10/04/841861004.db2.gz ZEPNVOWINIKEHR-WFASDCNBSA-N 2 1 262.353 1.036 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000776222586 842862550 /nfs/dbraw/zinc/86/25/50/842862550.db2.gz GCCHQJDSNPIZTF-WCQYABFASA-N 2 1 294.395 1.982 20 10 CDCDMP Cc1ccc(C)c(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1O ZINC001140182190 936684761 /nfs/dbraw/zinc/68/47/61/936684761.db2.gz JYGBHVANSIIEGJ-UHFFFAOYSA-N 2 1 291.439 1.688 20 10 CDCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001205571825 939904343 /nfs/dbraw/zinc/90/43/43/939904343.db2.gz YPYFSEZZFKUTKD-CQSZACIVSA-N 2 1 268.332 1.751 20 10 CDCDMP COc1cccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205764779 939934072 /nfs/dbraw/zinc/93/40/72/939934072.db2.gz YRATWVFPGUKQCL-LLVKDONJSA-N 2 1 286.322 1.817 20 10 CDCDMP COc1cccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205764779 939934073 /nfs/dbraw/zinc/93/40/73/939934073.db2.gz YRATWVFPGUKQCL-LLVKDONJSA-N 2 1 286.322 1.817 20 10 CDCDMP Cc1ccc(C)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235054406 944031154 /nfs/dbraw/zinc/03/11/54/944031154.db2.gz NIZQQEXENHPRGC-INIZCTEOSA-N 2 1 275.396 1.146 20 10 CDCDMP COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236251231 944436501 /nfs/dbraw/zinc/43/65/01/944436501.db2.gz QYMPYMIBCWKFNI-LLVKDONJSA-N 2 1 250.342 1.632 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236251231 944436504 /nfs/dbraw/zinc/43/65/04/944436504.db2.gz QYMPYMIBCWKFNI-LLVKDONJSA-N 2 1 250.342 1.632 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237385086 944744661 /nfs/dbraw/zinc/74/46/61/944744661.db2.gz ZXWWHFPJWFDZEK-JSGCOSHPSA-N 2 1 276.380 1.975 20 10 CDCDMP Oc1cc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237410299 944761335 /nfs/dbraw/zinc/76/13/35/944761335.db2.gz COEQQRICMAMGFM-ZYHUDNBSSA-N 2 1 278.352 1.377 20 10 CDCDMP Oc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237410299 944761341 /nfs/dbraw/zinc/76/13/41/944761341.db2.gz COEQQRICMAMGFM-ZYHUDNBSSA-N 2 1 278.352 1.377 20 10 CDCDMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001254504772 947459446 /nfs/dbraw/zinc/45/94/46/947459446.db2.gz WFXVEICQTYHIPW-CYBMUJFWSA-N 2 1 264.369 1.714 20 10 CDCDMP COc1cc(C)cc(C[NH2+][C@]23CCC[C@H]2C[NH2+]C3)c1O ZINC001579144890 1172105695 /nfs/dbraw/zinc/10/56/95/1172105695.db2.gz LECMNNZSNLATSX-BBRMVZONSA-N 2 1 276.380 1.941 20 10 CDCDMP CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)c(O)c1 ZINC000841029202 621019999 /nfs/dbraw/zinc/01/99/99/621019999.db2.gz VWCPQUXPTRDPDP-CYBMUJFWSA-N 2 1 250.342 1.618 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904405647 626282624 /nfs/dbraw/zinc/28/26/24/626282624.db2.gz MBMXTOTWLFGKNK-NSHDSACASA-N 2 1 280.368 1.580 20 10 CDCDMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000305114713 844332934 /nfs/dbraw/zinc/33/29/34/844332934.db2.gz HLCZZOPJBYEDCK-HZPDHXFCSA-N 2 1 279.428 1.716 20 10 CDCDMP CCN(CC)c1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000844220647 844407909 /nfs/dbraw/zinc/40/79/09/844407909.db2.gz IMXJXKMPLFNRPD-UHFFFAOYSA-N 2 1 279.428 1.940 20 10 CDCDMP CCCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000873107770 843589527 /nfs/dbraw/zinc/58/95/27/843589527.db2.gz QICRSVPKJUOVKO-KRWDZBQOSA-N 2 1 292.423 1.940 20 10 CDCDMP CCCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000873107770 843589551 /nfs/dbraw/zinc/58/95/51/843589551.db2.gz QICRSVPKJUOVKO-KRWDZBQOSA-N 2 1 292.423 1.940 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000843056979 845784766 /nfs/dbraw/zinc/78/47/66/845784766.db2.gz DNXOADTUJCAUIU-RYUDHWBXSA-N 2 1 264.369 1.960 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000775661378 846292272 /nfs/dbraw/zinc/29/22/72/846292272.db2.gz MXRZDBASFGPJQC-KRWDZBQOSA-N 2 1 289.423 1.395 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000380350853 846884818 /nfs/dbraw/zinc/88/48/18/846884818.db2.gz LCFUZCYFMVCYKV-INIZCTEOSA-N 2 1 276.380 1.976 20 10 CDCDMP CCc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205247547 919401006 /nfs/dbraw/zinc/40/10/06/919401006.db2.gz IOTPGTVFFQMGTE-MRXNPFEDSA-N 2 1 278.396 1.630 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205687962 924474186 /nfs/dbraw/zinc/47/41/86/924474186.db2.gz CCAHGTJQBMZERK-INIZCTEOSA-N 2 1 293.411 1.134 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001169109101 927756865 /nfs/dbraw/zinc/75/68/65/927756865.db2.gz YDQSVGBVCZPVGU-CLLJXQQHSA-N 2 1 262.353 1.813 20 10 CDCDMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001206633700 937227804 /nfs/dbraw/zinc/22/78/04/937227804.db2.gz ZLWWYYJJPRLYJK-SNVBAGLBSA-N 2 1 266.341 1.364 20 10 CDCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001206633700 937227805 /nfs/dbraw/zinc/22/78/05/937227805.db2.gz ZLWWYYJJPRLYJK-SNVBAGLBSA-N 2 1 266.341 1.364 20 10 CDCDMP C[NH+]1CCC2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)CC1 ZINC001144514522 931876702 /nfs/dbraw/zinc/87/67/02/931876702.db2.gz JCKFNATYPGFSJL-UHFFFAOYSA-N 2 1 292.379 1.721 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001205241288 939841462 /nfs/dbraw/zinc/84/14/62/939841462.db2.gz SJWQGBZTICFOIK-CQSZACIVSA-N 2 1 286.322 1.346 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(O)ccc(F)c2F)CC1 ZINC001205241288 939841465 /nfs/dbraw/zinc/84/14/65/939841465.db2.gz SJWQGBZTICFOIK-CQSZACIVSA-N 2 1 286.322 1.346 20 10 CDCDMP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc(O)c1O ZINC001206616414 940071563 /nfs/dbraw/zinc/07/15/63/940071563.db2.gz NWBDYDRAXZPOTF-LLVKDONJSA-N 2 1 280.368 1.667 20 10 CDCDMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc(O)c1O ZINC001206616414 940071566 /nfs/dbraw/zinc/07/15/66/940071566.db2.gz NWBDYDRAXZPOTF-LLVKDONJSA-N 2 1 280.368 1.667 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1O ZINC001206622458 940073033 /nfs/dbraw/zinc/07/30/33/940073033.db2.gz CFMVAKGSCACTSZ-GFCCVEGCSA-N 2 1 264.369 1.967 20 10 CDCDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)cc1O ZINC001231635529 942952485 /nfs/dbraw/zinc/95/24/85/942952485.db2.gz DZFPSCBOVMENFN-UHFFFAOYSA-N 2 1 294.395 1.880 20 10 CDCDMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1 ZINC001236811163 944576889 /nfs/dbraw/zinc/57/68/89/944576889.db2.gz MWFRHPBSXPZKMB-BETUJISGSA-N 2 1 276.380 1.703 20 10 CDCDMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC001236811163 944576894 /nfs/dbraw/zinc/57/68/94/944576894.db2.gz MWFRHPBSXPZKMB-BETUJISGSA-N 2 1 276.380 1.703 20 10 CDCDMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c1 ZINC001236811163 944576898 /nfs/dbraw/zinc/57/68/98/944576898.db2.gz MWFRHPBSXPZKMB-BETUJISGSA-N 2 1 276.380 1.703 20 10 CDCDMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2c1c(F)ccc2O ZINC000762787629 576672207 /nfs/dbraw/zinc/67/22/07/576672207.db2.gz MXKLMPVKGIOCSM-XAGWURHQSA-N 2 1 294.370 1.736 20 10 CDCDMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000762787629 576672209 /nfs/dbraw/zinc/67/22/09/576672209.db2.gz MXKLMPVKGIOCSM-XAGWURHQSA-N 2 1 294.370 1.736 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000843057191 618691022 /nfs/dbraw/zinc/69/10/22/618691022.db2.gz GMMRDZCNQKGAGY-WDEREUQCSA-N 2 1 280.368 1.579 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000775651092 697985296 /nfs/dbraw/zinc/98/52/96/697985296.db2.gz XNKHIBCPOZTPPR-INIZCTEOSA-N 2 1 275.396 1.005 20 10 CDCDMP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1F ZINC000817898810 698082810 /nfs/dbraw/zinc/08/28/10/698082810.db2.gz BGOIVNVAAANTTP-STQMWFEESA-N 2 1 251.349 1.861 20 10 CDCDMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226772 704835468 /nfs/dbraw/zinc/83/54/68/704835468.db2.gz ZACXCPIBEHGVTH-WFASDCNBSA-N 2 1 262.353 1.714 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226772 704835474 /nfs/dbraw/zinc/83/54/74/704835474.db2.gz ZACXCPIBEHGVTH-WFASDCNBSA-N 2 1 262.353 1.714 20 10 CDCDMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205958982 1165018836 /nfs/dbraw/zinc/01/88/36/1165018836.db2.gz JJZWKMNGLRIAPX-ZIAGYGMSSA-N 2 1 278.396 1.584 20 10 CDCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205958982 1165018840 /nfs/dbraw/zinc/01/88/40/1165018840.db2.gz JJZWKMNGLRIAPX-ZIAGYGMSSA-N 2 1 278.396 1.584 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000843048384 848411217 /nfs/dbraw/zinc/41/12/17/848411217.db2.gz OPPBVWFWDVBHQR-MRXNPFEDSA-N 3 1 288.439 1.219 20 10 CDCDMP CN1CCN(c2ccc(C[N@@H+]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000843048384 848411221 /nfs/dbraw/zinc/41/12/21/848411221.db2.gz OPPBVWFWDVBHQR-MRXNPFEDSA-N 2 1 288.439 1.219 20 10 CDCDMP CN1CCN(c2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000843048384 848411227 /nfs/dbraw/zinc/41/12/27/848411227.db2.gz OPPBVWFWDVBHQR-MRXNPFEDSA-N 2 1 288.439 1.219 20 10 CDCDMP COC[C@@]1(C[NH2+][C@@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000817974392 848619280 /nfs/dbraw/zinc/61/92/80/848619280.db2.gz LCSGZFOGZVXTQW-WFASDCNBSA-N 2 1 264.369 1.811 20 10 CDCDMP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC000386753992 849206805 /nfs/dbraw/zinc/20/68/05/849206805.db2.gz FAAGUCOJEFLZBH-RBSFLKMASA-N 2 1 288.391 1.832 20 10 CDCDMP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC000386753992 849206819 /nfs/dbraw/zinc/20/68/19/849206819.db2.gz FAAGUCOJEFLZBH-RBSFLKMASA-N 2 1 288.391 1.832 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000817964896 849223067 /nfs/dbraw/zinc/22/30/67/849223067.db2.gz IQJFFLFDNRITDL-VIFPVBQESA-N 2 1 264.325 1.049 20 10 CDCDMP COC[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC[NH2+]1 ZINC000817975030 849558039 /nfs/dbraw/zinc/55/80/39/849558039.db2.gz QBFFNHNNGLXKHD-CZUORRHYSA-N 2 1 276.380 1.738 20 10 CDCDMP CCOc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205664533 924239359 /nfs/dbraw/zinc/23/93/59/924239359.db2.gz NVJVGWNHAQNHHR-MRXNPFEDSA-N 2 1 294.395 1.467 20 10 CDCDMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001206640932 937282558 /nfs/dbraw/zinc/28/25/58/937282558.db2.gz PNORWYVEHZZGMF-LBPRGKRZSA-N 2 1 294.395 1.970 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1OC ZINC001206641448 937287826 /nfs/dbraw/zinc/28/78/26/937287826.db2.gz XNHWYJSXRZGXFT-GFCCVEGCSA-N 2 1 294.395 1.970 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3CSC3)cc2F)CC1 ZINC001120043046 937776437 /nfs/dbraw/zinc/77/64/37/937776437.db2.gz FHPZXPTYUDKCHF-UHFFFAOYSA-N 2 1 295.427 1.783 20 10 CDCDMP CC(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206480728 940047265 /nfs/dbraw/zinc/04/72/65/940047265.db2.gz IVKGARXOZHSQRI-DZGCQCFKSA-N 2 1 264.369 1.267 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253407092 951890979 /nfs/dbraw/zinc/89/09/79/951890979.db2.gz DKKRGRBQXHXILU-HNNXBMFYSA-N 2 1 279.428 1.591 20 10 CDCDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841031146 621023647 /nfs/dbraw/zinc/02/36/47/621023647.db2.gz XCWWYAXCTMPKBQ-HNNXBMFYSA-N 2 1 295.402 1.735 20 10 CDCDMP COc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000162640252 1180190437 /nfs/dbraw/zinc/19/04/37/1180190437.db2.gz IQUDBGPWVKOPCR-GOEBONIOSA-N 2 1 289.423 1.958 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000394303585 1187289056 /nfs/dbraw/zinc/28/90/56/1187289056.db2.gz VYYNMBFGBNKRGE-MRXNPFEDSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC000394303585 1187289059 /nfs/dbraw/zinc/28/90/59/1187289059.db2.gz VYYNMBFGBNKRGE-MRXNPFEDSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC000394303585 1187289062 /nfs/dbraw/zinc/28/90/62/1187289062.db2.gz VYYNMBFGBNKRGE-MRXNPFEDSA-N 2 1 276.380 1.928 20 10 CDCDMP CC[C@H]1C[N@@H+](Cc2c(O)cccc2OC)CC[C@@H]1[NH3+] ZINC000843053710 705425563 /nfs/dbraw/zinc/42/55/63/705425563.db2.gz SHPGNWWBJUWLTO-AAEUAGOBSA-N 2 1 264.369 1.960 20 10 CDCDMP [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000775746899 705860530 /nfs/dbraw/zinc/86/05/30/705860530.db2.gz HKIBIYJXKQVVAC-PHIMTYICSA-N 2 1 252.745 1.697 20 10 CDCDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854229932 710397968 /nfs/dbraw/zinc/39/79/68/710397968.db2.gz APYFEZMBFZHFTF-SJORKVTESA-N 2 1 289.423 1.617 20 10 CDCDMP CCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)c(O)c1 ZINC000841035119 710501949 /nfs/dbraw/zinc/50/19/49/710501949.db2.gz HOYAIKMOVANRSA-GFCCVEGCSA-N 2 1 250.342 1.633 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCOCC3)cc2)CC1 ZINC000775656143 710695268 /nfs/dbraw/zinc/69/52/68/710695268.db2.gz PJXQDFSZHPRTBT-UHFFFAOYSA-N 2 1 289.423 1.661 20 10 CDCDMP C[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)N1CC[NH+](C)CC1 ZINC000886524892 711727298 /nfs/dbraw/zinc/72/72/98/711727298.db2.gz STLUZRJZKQLECJ-STQMWFEESA-N 2 1 295.402 1.818 20 10 CDCDMP CCOc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1O ZINC000395014312 711789597 /nfs/dbraw/zinc/78/95/97/711789597.db2.gz KWDIZASMKNAJOJ-UHFFFAOYSA-N 2 1 250.342 1.712 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000126851518 1166130181 /nfs/dbraw/zinc/13/01/81/1166130181.db2.gz RTAFIZSKVRCCAS-VXGBXAGGSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(OC)c1 ZINC001205109082 913667892 /nfs/dbraw/zinc/66/78/92/913667892.db2.gz ALRGNMXMXJNJOG-LLVKDONJSA-N 2 1 280.368 1.723 20 10 CDCDMP COc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206154117 911174063 /nfs/dbraw/zinc/17/40/63/911174063.db2.gz GPCGTHHEVSKCIN-NEPJUHHUSA-N 2 1 268.332 1.662 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205663293 924212825 /nfs/dbraw/zinc/21/28/25/924212825.db2.gz HECUGVXPMHQZGC-OAHLLOKOSA-N 2 1 280.368 1.077 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(O)cc1O ZINC001205570790 939904191 /nfs/dbraw/zinc/90/41/91/939904191.db2.gz PBPJCZPLEKPWBH-HNNXBMFYSA-N 2 1 298.358 1.759 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1C[NH3+] ZINC001205626324 939909990 /nfs/dbraw/zinc/90/99/90/939909990.db2.gz FTFORHVQNOWFPB-GHMZBOCLSA-N 2 1 280.368 1.610 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(O)cc2O)CC[C@@H]1F ZINC001206163316 939988508 /nfs/dbraw/zinc/98/85/08/939988508.db2.gz BOLSZZACZJZHJH-RYUDHWBXSA-N 2 1 254.305 1.359 20 10 CDCDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206173314 939991010 /nfs/dbraw/zinc/99/10/10/939991010.db2.gz GXPIEOQAHQUWMS-OLZOCXBDSA-N 2 1 252.333 1.962 20 10 CDCDMP COc1cc(C)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206197897 939996044 /nfs/dbraw/zinc/99/60/44/939996044.db2.gz KFJHVVSLZMQORV-KGLIPLIRSA-N 2 1 282.359 1.970 20 10 CDCDMP [NH3+][C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001206197911 939996514 /nfs/dbraw/zinc/99/65/14/939996514.db2.gz KILYULKKVOOJCZ-ZJUUUORDSA-N 2 1 270.304 1.065 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001206197911 939996515 /nfs/dbraw/zinc/99/65/15/939996515.db2.gz KILYULKKVOOJCZ-ZJUUUORDSA-N 2 1 270.304 1.065 20 10 CDCDMP C[N@@H+]1C[C@H]2CN(Cc3cc(Cl)c(O)cc3O)C[C@H]2C1 ZINC001232262858 943194213 /nfs/dbraw/zinc/19/42/13/943194213.db2.gz TYVRDOFMULGZOC-PHIMTYICSA-N 2 1 282.771 1.745 20 10 CDCDMP COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235998298 944367602 /nfs/dbraw/zinc/36/76/02/944367602.db2.gz YCHZSCNTASTYKX-BBRMVZONSA-N 2 1 290.363 1.031 20 10 CDCDMP COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235998298 944367610 /nfs/dbraw/zinc/36/76/10/944367610.db2.gz YCHZSCNTASTYKX-BBRMVZONSA-N 2 1 290.363 1.031 20 10 CDCDMP COc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1O ZINC001236315001 944466305 /nfs/dbraw/zinc/46/63/05/944466305.db2.gz UOVCCHAOHOPNOJ-BETUJISGSA-N 2 1 276.380 1.832 20 10 CDCDMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC001253208400 951805065 /nfs/dbraw/zinc/80/50/65/951805065.db2.gz PIBAGWGMDOJUQF-CHWSQXEVSA-N 2 1 266.385 1.746 20 10 CDCDMP COc1c(O)c(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841032722 621026141 /nfs/dbraw/zinc/02/61/41/621026141.db2.gz JOJSPRJGQUSHFA-JTQLQIEISA-N 2 1 295.339 1.398 20 10 CDCDMP CN(CC[NH3+])CCNc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001170504887 1162668832 /nfs/dbraw/zinc/66/88/32/1162668832.db2.gz ODXNPISJJGMODW-OAHLLOKOSA-N 2 1 276.428 1.408 20 10 CDCDMP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886493496 711947641 /nfs/dbraw/zinc/94/76/41/711947641.db2.gz NWVLWQHSPMEABV-ZDUSSCGKSA-N 2 1 295.402 1.819 20 10 CDCDMP Cc1cc(N(C)C)ccc1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000819076735 712204074 /nfs/dbraw/zinc/20/40/74/712204074.db2.gz FDGALILYEQVLFH-QGZVFWFLSA-N 2 1 291.439 1.606 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000819076735 712204081 /nfs/dbraw/zinc/20/40/81/712204081.db2.gz FDGALILYEQVLFH-QGZVFWFLSA-N 2 1 291.439 1.606 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000819076735 712204083 /nfs/dbraw/zinc/20/40/83/712204083.db2.gz FDGALILYEQVLFH-QGZVFWFLSA-N 2 1 291.439 1.606 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000819076735 712204088 /nfs/dbraw/zinc/20/40/88/712204088.db2.gz FDGALILYEQVLFH-QGZVFWFLSA-N 2 1 291.439 1.606 20 10 CDCDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854229931 712445778 /nfs/dbraw/zinc/44/57/78/712445778.db2.gz APYFEZMBFZHFTF-IRXDYDNUSA-N 2 1 289.423 1.617 20 10 CDCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000841091964 712773394 /nfs/dbraw/zinc/77/33/94/712773394.db2.gz IGBDNPVXZFPIIJ-OAHLLOKOSA-N 2 1 265.401 1.284 20 10 CDCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992045 914502707 /nfs/dbraw/zinc/50/27/07/914502707.db2.gz PZBUQJRBDMVYHO-IUODEOHRSA-N 2 1 261.369 1.381 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992045 914502710 /nfs/dbraw/zinc/50/27/10/914502710.db2.gz PZBUQJRBDMVYHO-IUODEOHRSA-N 2 1 261.369 1.381 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206154119 911175761 /nfs/dbraw/zinc/17/57/61/911175761.db2.gz GPCGTHHEVSKCIN-RYUDHWBXSA-N 2 1 268.332 1.662 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1F ZINC001206185058 912128456 /nfs/dbraw/zinc/12/84/56/912128456.db2.gz KXIPOGGXKIWDGC-GHMZBOCLSA-N 2 1 270.304 1.065 20 10 CDCDMP CC[NH+]1CCN(c2ccc(C[NH+]3CC(C)(O)C3)cc2)CC1 ZINC001140299585 936699249 /nfs/dbraw/zinc/69/92/49/936699249.db2.gz AWZVMZZQFYWCKM-UHFFFAOYSA-N 2 1 289.423 1.395 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(O)c1 ZINC000843126290 937114726 /nfs/dbraw/zinc/11/47/26/937114726.db2.gz HUHPEXPCRMPPEG-SWLSCSKDSA-N 2 1 276.380 1.975 20 10 CDCDMP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1 ZINC000787303546 929358161 /nfs/dbraw/zinc/35/81/61/929358161.db2.gz HUZLIXVLAPJUDR-OKILXGFUSA-N 2 1 276.380 1.784 20 10 CDCDMP CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC000787303546 929358168 /nfs/dbraw/zinc/35/81/68/929358168.db2.gz HUZLIXVLAPJUDR-OKILXGFUSA-N 2 1 276.380 1.784 20 10 CDCDMP CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c1 ZINC000787303546 929358175 /nfs/dbraw/zinc/35/81/75/929358175.db2.gz HUZLIXVLAPJUDR-OKILXGFUSA-N 2 1 276.380 1.784 20 10 CDCDMP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817935606 930634814 /nfs/dbraw/zinc/63/48/14/930634814.db2.gz KARMZMTVZNHZAU-HNNXBMFYSA-N 2 1 295.402 1.867 20 10 CDCDMP C[NH2+]CCC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000844221304 931558034 /nfs/dbraw/zinc/55/80/34/931558034.db2.gz BYWXHIBKCWZNRE-UHFFFAOYSA-N 2 1 277.412 1.817 20 10 CDCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205546023 939900603 /nfs/dbraw/zinc/90/06/03/939900603.db2.gz PAAGYUXSKPQBJV-AWEZNQCLSA-N 2 1 268.332 1.751 20 10 CDCDMP Nc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205788574 939936611 /nfs/dbraw/zinc/93/66/11/939936611.db2.gz PFZNDHVCPFKBNV-LLVKDONJSA-N 2 1 255.312 1.685 20 10 CDCDMP Nc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205788574 939936612 /nfs/dbraw/zinc/93/66/12/939936612.db2.gz PFZNDHVCPFKBNV-LLVKDONJSA-N 2 1 255.312 1.685 20 10 CDCDMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001206342729 940022457 /nfs/dbraw/zinc/02/24/57/940022457.db2.gz ATAHYCQHCWOKKE-AWEZNQCLSA-N 2 1 268.332 1.751 20 10 CDCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001206342729 940022460 /nfs/dbraw/zinc/02/24/60/940022460.db2.gz ATAHYCQHCWOKKE-AWEZNQCLSA-N 2 1 268.332 1.751 20 10 CDCDMP Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206491095 940049044 /nfs/dbraw/zinc/04/90/44/940049044.db2.gz GTNVMCHSKNECND-CMPLNLGQSA-N 2 1 270.760 1.105 20 10 CDCDMP Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206491095 940049047 /nfs/dbraw/zinc/04/90/47/940049047.db2.gz GTNVMCHSKNECND-CMPLNLGQSA-N 2 1 270.760 1.105 20 10 CDCDMP Cc1cccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222507579 941605708 /nfs/dbraw/zinc/60/57/08/941605708.db2.gz ZJABPUHSFLHOMU-GJZGRUSLSA-N 2 1 275.396 1.226 20 10 CDCDMP C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000092253866 327191174 /nfs/dbraw/zinc/19/11/74/327191174.db2.gz HMGHMABGFJSLLC-GFCCVEGCSA-N 2 1 292.379 1.895 20 10 CDCDMP C[NH+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253866 327191176 /nfs/dbraw/zinc/19/11/76/327191176.db2.gz HMGHMABGFJSLLC-GFCCVEGCSA-N 2 1 292.379 1.895 20 10 CDCDMP C[NH+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253866 327191178 /nfs/dbraw/zinc/19/11/78/327191178.db2.gz HMGHMABGFJSLLC-GFCCVEGCSA-N 2 1 292.379 1.895 20 10 CDCDMP Oc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)OCO2 ZINC000112017221 526336245 /nfs/dbraw/zinc/33/62/45/526336245.db2.gz IKDXCZYCSUBXDV-CHWSQXEVSA-N 2 1 290.363 1.837 20 10 CDCDMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c1C ZINC000762784853 576671472 /nfs/dbraw/zinc/67/14/72/576671472.db2.gz ALRURKXCGZFVJB-CZUORRHYSA-N 2 1 278.396 1.726 20 10 CDCDMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c1C ZINC000762784853 576671474 /nfs/dbraw/zinc/67/14/74/576671474.db2.gz ALRURKXCGZFVJB-CZUORRHYSA-N 2 1 278.396 1.726 20 10 CDCDMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc2c(cc1O)CCCC2 ZINC000756554561 576995348 /nfs/dbraw/zinc/99/53/48/576995348.db2.gz IIPNLLLUEPQFPK-DOMZBBRYSA-N 2 1 292.423 1.844 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000216050142 617634209 /nfs/dbraw/zinc/63/42/09/617634209.db2.gz YPTGOKSRGHVFJK-QWRGUYRKSA-N 2 1 250.342 1.570 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000841100855 618682488 /nfs/dbraw/zinc/68/24/88/618682488.db2.gz MCUUIYIJNRTHFD-WCQYABFASA-N 2 1 294.395 1.826 20 10 CDCDMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(O)c1 ZINC000843057530 618691456 /nfs/dbraw/zinc/69/14/56/618691456.db2.gz JLPTXSNSWAKTMP-NEPJUHHUSA-N 2 1 264.369 1.960 20 10 CDCDMP C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1C[NH2+]C1 ZINC000902517036 624915624 /nfs/dbraw/zinc/91/56/24/624915624.db2.gz JELWTGSLWGVKGK-GUYCJALGSA-N 2 1 290.455 1.553 20 10 CDCDMP CC[C@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841073042 936974385 /nfs/dbraw/zinc/97/43/85/936974385.db2.gz UUKIEJTYEFDFQK-JTQLQIEISA-N 2 1 254.330 1.236 20 10 CDCDMP C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC[NH2+]CC1 ZINC000843046414 937106004 /nfs/dbraw/zinc/10/60/04/937106004.db2.gz VCXOJXMRLLSFFG-UHFFFAOYSA-N 2 1 264.325 1.305 20 10 CDCDMP C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCC([NH3+])CC1 ZINC000843055926 937109051 /nfs/dbraw/zinc/10/90/51/937109051.db2.gz SDSPKZQCHFLGKE-UHFFFAOYSA-N 2 1 278.352 1.823 20 10 CDCDMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273576 934835120 /nfs/dbraw/zinc/83/51/20/934835120.db2.gz OUEYHNGUKOZHOB-HNNXBMFYSA-N 2 1 292.427 1.210 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000381148086 935520960 /nfs/dbraw/zinc/52/09/60/935520960.db2.gz KYFSCIYKXHUKDU-BBRMVZONSA-N 2 1 276.380 1.962 20 10 CDCDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1O ZINC001203558263 939693539 /nfs/dbraw/zinc/69/35/39/939693539.db2.gz AVVHYKOJDWQWEO-UHFFFAOYSA-N 2 1 263.385 1.071 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1C[NH3+] ZINC001205639518 939911142 /nfs/dbraw/zinc/91/11/42/939911142.db2.gz ZRIMVJUAVAXBSP-WDEREUQCSA-N 2 1 280.368 1.610 20 10 CDCDMP COc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205663351 939912988 /nfs/dbraw/zinc/91/29/88/939912988.db2.gz HXNWCLZOKHPKKN-OAHLLOKOSA-N 2 1 280.368 1.077 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c2ccccc21 ZINC001206512589 940052284 /nfs/dbraw/zinc/05/22/84/940052284.db2.gz QCCCBKMPVFTBFA-KSSFIOAISA-N 2 1 299.418 1.657 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1O ZINC001206530906 940055189 /nfs/dbraw/zinc/05/51/89/940055189.db2.gz VQWRHGCMXKXBAM-RDJZCZTQSA-N 2 1 298.386 1.811 20 10 CDCDMP [NH3+]CC1(F)CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001222531980 941608687 /nfs/dbraw/zinc/60/86/87/941608687.db2.gz HUDLNBIPIFZOGI-UHFFFAOYSA-N 2 1 256.296 1.794 20 10 CDCDMP C[N@@H+](CCCO)C1CCN(Cc2ccc(N)cc2)CC1 ZINC001336116950 960210856 /nfs/dbraw/zinc/21/08/56/960210856.db2.gz IREBZPACDGNLCT-UHFFFAOYSA-N 2 1 277.412 1.547 20 10 CDCDMP CCc1cccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1O ZINC000848903323 969344203 /nfs/dbraw/zinc/34/42/03/969344203.db2.gz PQRCEHDHKYNTNA-UHFFFAOYSA-N 2 1 292.423 1.891 20 10 CDCDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(O)c1OC ZINC000892946458 617950771 /nfs/dbraw/zinc/95/07/71/617950771.db2.gz BSLSUJZCNYCKGA-GFCCVEGCSA-N 2 1 294.395 1.841 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000843057540 618691481 /nfs/dbraw/zinc/69/14/81/618691481.db2.gz JNURRONSTUCQRI-NWDGAFQWSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc(O)c1O ZINC001205994054 1161989347 /nfs/dbraw/zinc/98/93/47/1161989347.db2.gz IVUBJFLSMSDZFV-DGCLKSJQSA-N 2 1 294.395 1.913 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206155602 911200242 /nfs/dbraw/zinc/20/02/42/911200242.db2.gz MPTBFYLGRQKJCW-QWHCGFSZSA-N 2 1 268.332 1.662 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205208766 918893393 /nfs/dbraw/zinc/89/33/93/918893393.db2.gz FYQREYYBECIOIM-HNNXBMFYSA-N 2 1 280.368 1.077 20 10 CDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1COC1 ZINC001139412770 936618136 /nfs/dbraw/zinc/61/81/36/936618136.db2.gz NFTXSMMEWWDQHT-UHFFFAOYSA-N 2 1 289.423 1.659 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc(O)c1O ZINC001205603352 923151271 /nfs/dbraw/zinc/15/12/71/923151271.db2.gz OKIXZIQASBFZBJ-WCQYABFASA-N 2 1 294.395 1.913 20 10 CDCDMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000228723956 936910779 /nfs/dbraw/zinc/91/07/79/936910779.db2.gz CSBMYFRPYHMPSS-KRWDZBQOSA-N 2 1 291.439 1.689 20 10 CDCDMP COc1cccc(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1O ZINC001203599180 939695239 /nfs/dbraw/zinc/69/52/39/939695239.db2.gz BPGZBVJTSVMCSF-TZMCWYRMSA-N 2 1 276.380 1.927 20 10 CDCDMP FC1(F)C[NH2+]C[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218235258 941048224 /nfs/dbraw/zinc/04/82/24/941048224.db2.gz ALZXZWZYQUJQPM-CYBMUJFWSA-N 2 1 283.322 1.082 20 10 CDCDMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235924984 944323221 /nfs/dbraw/zinc/32/32/21/944323221.db2.gz DOJVWRLZROTIIX-INIZCTEOSA-N 3 1 288.439 1.409 20 10 CDCDMP C[C@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246175697 948011161 /nfs/dbraw/zinc/01/11/61/948011161.db2.gz VJDDZEBHMKNGPG-HOCLYGCPSA-N 2 1 288.439 1.326 20 10 CDCDMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC001253209532 951807236 /nfs/dbraw/zinc/80/72/36/951807236.db2.gz GDIFGVOZAWIGIR-MRXNPFEDSA-N 2 1 279.428 1.545 20 10 CDCDMP C[NH2+][C@H](C)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001331419294 957040984 /nfs/dbraw/zinc/04/09/84/957040984.db2.gz PSPFIKVSVFHCTE-OAHLLOKOSA-N 2 1 290.455 1.526 20 10 CDCDMP CCOc1ccc(C[N@@H+](C)CCC[NH2+]C)c(O)c1 ZINC000841104348 618683182 /nfs/dbraw/zinc/68/31/82/618683182.db2.gz PIFDHKZEIBWFBS-UHFFFAOYSA-N 2 1 252.358 1.832 20 10 CDCDMP Cc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(O)c1 ZINC000894376245 618833170 /nfs/dbraw/zinc/83/31/70/618833170.db2.gz REHJCOOWSMEBAY-UHFFFAOYSA-N 2 1 291.439 1.818 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000817951215 678377971 /nfs/dbraw/zinc/37/79/71/678377971.db2.gz BRHAIEXKJJUAMF-WDEREUQCSA-N 2 1 250.342 1.803 20 10 CDCDMP COc1c(O)c(C[NH2+][C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000841051749 678561353 /nfs/dbraw/zinc/56/13/53/678561353.db2.gz QYBSYEGYRILLHK-QMMMGPOBSA-N 2 1 269.301 1.136 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163486359 678845545 /nfs/dbraw/zinc/84/55/45/678845545.db2.gz HBBXTSLMFPTHAG-YPMHNXCESA-N 2 1 264.369 1.818 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000817951213 679646310 /nfs/dbraw/zinc/64/63/10/679646310.db2.gz BRHAIEXKJJUAMF-MNOVXSKESA-N 2 1 250.342 1.803 20 10 CDCDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]21 ZINC000843059904 679654784 /nfs/dbraw/zinc/65/47/84/679654784.db2.gz UGDAGKSQQOVDGJ-WCFLWFBJSA-N 2 1 290.363 1.680 20 10 CDCDMP C[N@H+](Cc1c(O)cc(O)cc1O)CC1CC[NH+](C)CC1 ZINC001144509060 931874151 /nfs/dbraw/zinc/87/41/51/931874151.db2.gz JPVGQKXRVBXBEM-UHFFFAOYSA-N 2 1 280.368 1.577 20 10 CDCDMP Oc1cc(Cl)ccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234985622 943995435 /nfs/dbraw/zinc/99/54/35/943995435.db2.gz CVJRSEZGFQNNJO-AWEZNQCLSA-N 2 1 281.787 1.183 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237385088 944742323 /nfs/dbraw/zinc/74/23/23/944742323.db2.gz ZXWWHFPJWFDZEK-OCCSQVGLSA-N 2 1 276.380 1.975 20 10 CDCDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC001261835295 946294319 /nfs/dbraw/zinc/29/43/19/946294319.db2.gz QAHLQILBFFAFBM-CQSZACIVSA-N 2 1 292.402 1.029 20 10 CDCDMP Oc1ccccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000179569355 391212084 /nfs/dbraw/zinc/21/20/84/391212084.db2.gz HSXXMFGHBBZUNV-OAHLLOKOSA-N 2 1 290.407 1.936 20 10 CDCDMP COc1ccc(O)c(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091662441 260266183 /nfs/dbraw/zinc/26/61/83/260266183.db2.gz CAPDFOSQWUAFLH-UKRRQHHQSA-N 2 1 292.379 1.354 20 10 CDCDMP Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000252762920 334390930 /nfs/dbraw/zinc/39/09/30/334390930.db2.gz ZIMBLQLNGZYLDE-LSDHHAIUSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000252762920 334390932 /nfs/dbraw/zinc/39/09/32/334390932.db2.gz ZIMBLQLNGZYLDE-LSDHHAIUSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1ccc(O)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289519555 525339634 /nfs/dbraw/zinc/33/96/34/525339634.db2.gz VIVRKBGVCHWBKA-UHFFFAOYSA-N 2 1 291.439 1.770 20 10 CDCDMP COc1c(O)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841084968 628055416 /nfs/dbraw/zinc/05/54/16/628055416.db2.gz RCKMOYHQUSGVMN-GXSJLCMTSA-N 2 1 295.339 1.526 20 10 CDCDMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052932 682807516 /nfs/dbraw/zinc/80/75/16/682807516.db2.gz PEQVHNOEALUBCY-CYBMUJFWSA-N 2 1 265.376 1.933 20 10 CDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052932 682807518 /nfs/dbraw/zinc/80/75/18/682807518.db2.gz PEQVHNOEALUBCY-CYBMUJFWSA-N 2 1 265.376 1.933 20 10 CDCDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843044044 679776452 /nfs/dbraw/zinc/77/64/52/679776452.db2.gz AXOSKVFGANMIHF-GFCCVEGCSA-N 2 1 294.395 1.841 20 10 CDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843044044 679776454 /nfs/dbraw/zinc/77/64/54/679776454.db2.gz AXOSKVFGANMIHF-GFCCVEGCSA-N 2 1 294.395 1.841 20 10 CDCDMP CCOc1ccc(C[N@@H+](C)C2CC([NH3+])C2)c(O)c1 ZINC000843125374 679797631 /nfs/dbraw/zinc/79/76/31/679797631.db2.gz UIGVUJURMALZII-UHFFFAOYSA-N 2 1 250.342 1.712 20 10 CDCDMP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1O ZINC000841086069 679841853 /nfs/dbraw/zinc/84/18/53/679841853.db2.gz LMOJEUBRZZJQKQ-ZDUSSCGKSA-N 2 1 280.368 1.259 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)C3CC3)cc2)CC1 ZINC000775652756 679844797 /nfs/dbraw/zinc/84/47/97/679844797.db2.gz RFOWVZGAMPTDOF-UHFFFAOYSA-N 2 1 289.423 1.395 20 10 CDCDMP COc1ccc(O)c([C@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000851900172 679852655 /nfs/dbraw/zinc/85/26/55/679852655.db2.gz QLRWOVWOBIGQRP-STQMWFEESA-N 2 1 296.411 1.753 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000851900172 679852658 /nfs/dbraw/zinc/85/26/58/679852658.db2.gz QLRWOVWOBIGQRP-STQMWFEESA-N 2 1 296.411 1.753 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000702614571 682119465 /nfs/dbraw/zinc/11/94/65/682119465.db2.gz MCVGNEAGIHSSIN-HNNXBMFYSA-N 2 1 264.369 1.111 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000702614571 682119486 /nfs/dbraw/zinc/11/94/86/682119486.db2.gz MCVGNEAGIHSSIN-HNNXBMFYSA-N 2 1 264.369 1.111 20 10 CDCDMP CC[C@@H](CO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824533739 681593643 /nfs/dbraw/zinc/59/36/43/681593643.db2.gz MAYPICFAELJDJW-INIZCTEOSA-N 2 1 291.439 1.641 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000070171771 681657191 /nfs/dbraw/zinc/65/71/91/681657191.db2.gz VMFKQIMCTABALT-NWDGAFQWSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cccc(O)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127746 681981423 /nfs/dbraw/zinc/98/14/23/681981423.db2.gz SXXMIESPAOAYDT-WCQYABFASA-N 2 1 262.353 1.585 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127746 681981438 /nfs/dbraw/zinc/98/14/38/681981438.db2.gz SXXMIESPAOAYDT-WCQYABFASA-N 2 1 262.353 1.585 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC([NH3+])C1 ZINC000843125640 682620826 /nfs/dbraw/zinc/62/08/26/682620826.db2.gz ZRJAJDVNPVQSBU-UHFFFAOYSA-N 2 1 288.439 1.360 20 10 CDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC([NH3+])C1 ZINC000843125640 682620828 /nfs/dbraw/zinc/62/08/28/682620828.db2.gz ZRJAJDVNPVQSBU-UHFFFAOYSA-N 2 1 288.439 1.360 20 10 CDCDMP CCOc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c(O)c1 ZINC000843052954 683408063 /nfs/dbraw/zinc/40/80/63/683408063.db2.gz QGEHUWDWAMKEAP-UHFFFAOYSA-N 2 1 293.411 1.128 20 10 CDCDMP Cc1cccc(C[N@H+](CCO)C2CCN(C)CC2)c1O ZINC000305771434 683870285 /nfs/dbraw/zinc/87/02/85/683870285.db2.gz KJLYWKSVCGYNTI-UHFFFAOYSA-N 2 1 278.396 1.589 20 10 CDCDMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c1 ZINC000877021593 683876787 /nfs/dbraw/zinc/87/67/87/683876787.db2.gz GRVQEPWCIOAOKF-LSDHHAIUSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(O)c1 ZINC000877021593 683876788 /nfs/dbraw/zinc/87/67/88/683876788.db2.gz GRVQEPWCIOAOKF-LSDHHAIUSA-N 2 1 276.380 1.653 20 10 CDCDMP Oc1cccc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000312315702 684253593 /nfs/dbraw/zinc/25/35/93/684253593.db2.gz AXXFINGJVOKTCM-LBPRGKRZSA-N 2 1 295.814 1.525 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)CC[C@@H]1F ZINC001206175255 939990210 /nfs/dbraw/zinc/99/02/10/939990210.db2.gz TWBJJYCFKWMROV-NWDGAFQWSA-N 2 1 254.305 1.359 20 10 CDCDMP Cc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001206520243 940053280 /nfs/dbraw/zinc/05/32/80/940053280.db2.gz RJCOVAQAPLRLAI-WMZOPIPTSA-N 2 1 299.418 1.846 20 10 CDCDMP Oc1ccc(F)c(F)c1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222100058 941566417 /nfs/dbraw/zinc/56/64/17/941566417.db2.gz SMSTUIBFFDMUCC-UHFFFAOYSA-N 2 1 297.349 1.198 20 10 CDCDMP Oc1ccc(F)c(F)c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222100058 941566419 /nfs/dbraw/zinc/56/64/19/941566419.db2.gz SMSTUIBFFDMUCC-UHFFFAOYSA-N 2 1 297.349 1.198 20 10 CDCDMP Oc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(O)c1O ZINC001236322503 944471309 /nfs/dbraw/zinc/47/13/09/944471309.db2.gz ZMDIAUUKYFFGTH-TXEJJXNPSA-N 2 1 278.352 1.235 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)cc1O ZINC001237405942 944758797 /nfs/dbraw/zinc/75/87/97/944758797.db2.gz SKUOFWQAYUACFE-WCQYABFASA-N 2 1 292.379 1.680 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)cc1O ZINC001237405942 944758805 /nfs/dbraw/zinc/75/88/05/944758805.db2.gz SKUOFWQAYUACFE-WCQYABFASA-N 2 1 292.379 1.680 20 10 CDCDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180148486 357247371 /nfs/dbraw/zinc/24/73/71/357247371.db2.gz QBQDHYBVPMDQPK-LLVKDONJSA-N 2 1 252.333 1.915 20 10 CDCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180148486 357247375 /nfs/dbraw/zinc/24/73/75/357247375.db2.gz QBQDHYBVPMDQPK-LLVKDONJSA-N 2 1 252.333 1.915 20 10 CDCDMP C[N@H+]1CCN(CC[NH2+]Cc2cc(F)ccc2O)CC1(C)C ZINC000282485836 367908737 /nfs/dbraw/zinc/90/87/37/367908737.db2.gz XEOHUWNEHKDUED-UHFFFAOYSA-N 2 1 295.402 1.647 20 10 CDCDMP Oc1ccccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000179580071 391213248 /nfs/dbraw/zinc/21/32/48/391213248.db2.gz DJDUVHJZLRUMMG-AWEZNQCLSA-N 2 1 276.380 1.546 20 10 CDCDMP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000273575688 334767258 /nfs/dbraw/zinc/76/72/58/334767258.db2.gz LTBFPRWHQJXCGX-LLVKDONJSA-N 2 1 282.359 1.639 20 10 CDCDMP C[NH2+]CCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000841103293 618683370 /nfs/dbraw/zinc/68/33/70/618683370.db2.gz GEARALKJMZFJKL-UHFFFAOYSA-N 2 1 253.365 1.933 20 10 CDCDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000841103293 618683372 /nfs/dbraw/zinc/68/33/72/618683372.db2.gz GEARALKJMZFJKL-UHFFFAOYSA-N 2 1 253.365 1.933 20 10 CDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)OCO2 ZINC000843128934 618693713 /nfs/dbraw/zinc/69/37/13/618693713.db2.gz ZRLQEBLDJUZNLA-PWSUYJOCSA-N 2 1 276.336 1.305 20 10 CDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)OCO2 ZINC000843128934 618693716 /nfs/dbraw/zinc/69/37/16/618693716.db2.gz ZRLQEBLDJUZNLA-PWSUYJOCSA-N 2 1 276.336 1.305 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1O ZINC000897681158 621070091 /nfs/dbraw/zinc/07/00/91/621070091.db2.gz PSEQVDCADKMKKR-WMLDXEAASA-N 2 1 289.423 1.251 20 10 CDCDMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(O)c1 ZINC000904421048 626295455 /nfs/dbraw/zinc/29/54/55/626295455.db2.gz MMYNSDAUELFXHM-GXTWGEPZSA-N 2 1 276.380 1.832 20 10 CDCDMP CCOc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000841028351 684629897 /nfs/dbraw/zinc/62/98/97/684629897.db2.gz PAIOYNCOAAZGTH-ZDUSSCGKSA-N 2 1 250.342 1.618 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163486471 684866562 /nfs/dbraw/zinc/86/65/62/684866562.db2.gz HBBXTSLMFPTHAG-AAEUAGOBSA-N 2 1 264.369 1.818 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)(C)C[NH3+] ZINC000843056707 684892378 /nfs/dbraw/zinc/89/23/78/684892378.db2.gz XFXJHBLWDYMWMQ-UHFFFAOYSA-N 2 1 291.439 1.940 20 10 CDCDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1O ZINC000702636414 685873847 /nfs/dbraw/zinc/87/38/47/685873847.db2.gz MLGNNQPIQRSVOU-DZGCQCFKSA-N 2 1 264.369 1.500 20 10 CDCDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1O ZINC000702636414 685873849 /nfs/dbraw/zinc/87/38/49/685873849.db2.gz MLGNNQPIQRSVOU-DZGCQCFKSA-N 2 1 264.369 1.500 20 10 CDCDMP c1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc2c1OCC2 ZINC000841085623 685935328 /nfs/dbraw/zinc/93/53/28/685935328.db2.gz JAEPXEOBVMDLBT-CQSZACIVSA-N 2 1 262.353 1.090 20 10 CDCDMP Cc1cccc(O)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000877526058 1166052429 /nfs/dbraw/zinc/05/24/29/1166052429.db2.gz FFUXKIPPXKLPPL-UHFFFAOYSA-N 2 1 291.439 1.770 20 10 CDCDMP Nc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206372204 915772557 /nfs/dbraw/zinc/77/25/57/915772557.db2.gz XUVJFZMDZNEOLS-AWEZNQCLSA-N 2 1 251.349 1.922 20 10 CDCDMP Nc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206372204 915772564 /nfs/dbraw/zinc/77/25/64/915772564.db2.gz XUVJFZMDZNEOLS-AWEZNQCLSA-N 2 1 251.349 1.922 20 10 CDCDMP Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1N(C)C ZINC001205221639 919180552 /nfs/dbraw/zinc/18/05/52/919180552.db2.gz UUUOVFCZYXDNBN-KRWDZBQOSA-N 2 1 291.439 1.737 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139252981 936611986 /nfs/dbraw/zinc/61/19/86/936611986.db2.gz HPYUWOFCTNUHSF-AWEZNQCLSA-N 2 1 294.395 1.419 20 10 CDCDMP CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)CC[C@@H]1[NH3+] ZINC000843052849 937106977 /nfs/dbraw/zinc/10/69/77/937106977.db2.gz VRXPTDUUZLXAMP-YPMHNXCESA-N 2 1 294.395 1.969 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001169099951 927704290 /nfs/dbraw/zinc/70/42/90/927704290.db2.gz XHUVVYXNMDWIJK-XYYAHUGASA-N 2 1 262.353 1.813 20 10 CDCDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCC1(F)F ZINC001205779120 939935510 /nfs/dbraw/zinc/93/55/10/939935510.db2.gz JTWJXUVYOTUDFY-SNVBAGLBSA-N 2 1 272.295 1.514 20 10 CDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CCC1(F)F ZINC001205779120 939935514 /nfs/dbraw/zinc/93/55/14/939935514.db2.gz JTWJXUVYOTUDFY-SNVBAGLBSA-N 2 1 272.295 1.514 20 10 CDCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001206319151 940017495 /nfs/dbraw/zinc/01/74/95/940017495.db2.gz YJHIOIZDMGFUNU-OAHLLOKOSA-N 2 1 280.368 1.754 20 10 CDCDMP C[NH+]1CCN(c2ccc(CN3CC[C@H]([NH3+])C3)cc2F)CC1 ZINC001332339094 957524147 /nfs/dbraw/zinc/52/41/47/957524147.db2.gz JSODVDCJGBGDIP-AWEZNQCLSA-N 2 1 292.402 1.111 20 10 CDCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC001320514177 959215966 /nfs/dbraw/zinc/21/59/66/959215966.db2.gz OSSWJTQQXMPPEV-PBFPGSCMSA-N 2 1 290.407 1.905 20 10 CDCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC001320514177 959215979 /nfs/dbraw/zinc/21/59/79/959215979.db2.gz OSSWJTQQXMPPEV-PBFPGSCMSA-N 2 1 290.407 1.905 20 10 CDCDMP C[NH+]1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000042879707 358983734 /nfs/dbraw/zinc/98/37/34/358983734.db2.gz PROVLFUUMRWYKK-UHFFFAOYSA-N 2 1 264.325 1.305 20 10 CDCDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1O ZINC000183490834 391265660 /nfs/dbraw/zinc/26/56/60/391265660.db2.gz COGIFMUKGFIWFR-ZDUSSCGKSA-N 2 1 291.395 1.207 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000179444415 261787364 /nfs/dbraw/zinc/78/73/64/261787364.db2.gz POWFHNUYDCOMMM-LBPRGKRZSA-N 2 1 294.395 1.793 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000179444415 261787365 /nfs/dbraw/zinc/78/73/65/261787365.db2.gz POWFHNUYDCOMMM-LBPRGKRZSA-N 2 1 294.395 1.793 20 10 CDCDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1O ZINC000252546041 334382535 /nfs/dbraw/zinc/38/25/35/334382535.db2.gz KBGZFIYNAOOLAH-MELADBBJSA-N 2 1 276.380 1.906 20 10 CDCDMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1O ZINC000252546041 334382536 /nfs/dbraw/zinc/38/25/36/334382536.db2.gz KBGZFIYNAOOLAH-MELADBBJSA-N 2 1 276.380 1.906 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843057539 618691371 /nfs/dbraw/zinc/69/13/71/618691371.db2.gz JNURRONSTUCQRI-NEPJUHHUSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1c(O)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841084969 628056306 /nfs/dbraw/zinc/05/63/06/628056306.db2.gz RCKMOYHQUSGVMN-KOLCDFICSA-N 2 1 295.339 1.526 20 10 CDCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000310866887 688401101 /nfs/dbraw/zinc/40/11/01/688401101.db2.gz PXMMARKXAITJNC-AWEZNQCLSA-N 2 1 250.317 1.717 20 10 CDCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000310866887 688401106 /nfs/dbraw/zinc/40/11/06/688401106.db2.gz PXMMARKXAITJNC-AWEZNQCLSA-N 2 1 250.317 1.717 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000843117965 694466453 /nfs/dbraw/zinc/46/64/53/694466453.db2.gz XIZRSRRCPIYVFK-OAHLLOKOSA-N 2 1 280.368 1.580 20 10 CDCDMP COc1cc(O)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000775748390 694487808 /nfs/dbraw/zinc/48/78/08/694487808.db2.gz XZWHXOWRUOAIKC-RYUDHWBXSA-N 2 1 278.352 1.061 20 10 CDCDMP COc1cc(O)c(C[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000843108453 693380555 /nfs/dbraw/zinc/38/05/55/693380555.db2.gz STODQPFSJKJESG-UHFFFAOYSA-N 2 1 280.368 1.723 20 10 CDCDMP CCOc1cccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1O ZINC000071148548 723119587 /nfs/dbraw/zinc/11/95/87/723119587.db2.gz KMDBEZYUKQGOBL-UHFFFAOYSA-N 2 1 293.411 1.128 20 10 CDCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992048 914503398 /nfs/dbraw/zinc/50/33/98/914503398.db2.gz PZBUQJRBDMVYHO-SWLSCSKDSA-N 2 1 261.369 1.381 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992048 914503403 /nfs/dbraw/zinc/50/34/03/914503403.db2.gz PZBUQJRBDMVYHO-SWLSCSKDSA-N 2 1 261.369 1.381 20 10 CDCDMP CCOc1ccc(O)c(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000841028349 906858817 /nfs/dbraw/zinc/85/88/17/906858817.db2.gz PAIOYNCOAAZGTH-CYBMUJFWSA-N 2 1 250.342 1.618 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1F ZINC001206185059 912127766 /nfs/dbraw/zinc/12/77/66/912127766.db2.gz KXIPOGGXKIWDGC-MNOVXSKESA-N 2 1 270.304 1.065 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000843048550 937106475 /nfs/dbraw/zinc/10/64/75/937106475.db2.gz GYHXHJUVQYVOFY-LLVKDONJSA-N 2 1 250.342 1.572 20 10 CDCDMP Oc1ccccc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000843356399 937142314 /nfs/dbraw/zinc/14/23/14/937142314.db2.gz MWEBEJLKGJITMZ-ZBFHGGJFSA-N 2 1 290.407 1.983 20 10 CDCDMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817972597 930655951 /nfs/dbraw/zinc/65/59/51/930655951.db2.gz YFJFCZNAZIUBEI-VXGBXAGGSA-N 2 1 281.375 1.660 20 10 CDCDMP Nc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC001120371229 937796202 /nfs/dbraw/zinc/79/62/02/937796202.db2.gz CJVPZPKMHKLPHR-HNNXBMFYSA-N 2 1 286.383 1.156 20 10 CDCDMP CCN1CCO[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203552682 939692488 /nfs/dbraw/zinc/69/24/88/939692488.db2.gz QELDJONDNSAMJX-GOEBONIOSA-N 2 1 276.380 1.545 20 10 CDCDMP CC[N@@H+]1CCO[C@@H]2CN(Cc3ccccc3O)C[C@@H]2C1 ZINC001203552682 939692490 /nfs/dbraw/zinc/69/24/90/939692490.db2.gz QELDJONDNSAMJX-GOEBONIOSA-N 2 1 276.380 1.545 20 10 CDCDMP CC[N@H+]1CCO[C@@H]2CN(Cc3ccccc3O)C[C@@H]2C1 ZINC001203552682 939692492 /nfs/dbraw/zinc/69/24/92/939692492.db2.gz QELDJONDNSAMJX-GOEBONIOSA-N 2 1 276.380 1.545 20 10 CDCDMP CCc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205726224 939927711 /nfs/dbraw/zinc/92/77/11/939927711.db2.gz RHRXRTQIVGEZHN-INIZCTEOSA-N 2 1 278.396 1.630 20 10 CDCDMP Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237383888 944739588 /nfs/dbraw/zinc/73/95/88/944739588.db2.gz SDQROWGRQZGRNL-FZMZJTMJSA-N 2 1 262.353 1.672 20 10 CDCDMP C[C@H](O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328655507 955397592 /nfs/dbraw/zinc/39/75/92/955397592.db2.gz MOTPEIRKIAWHRA-ZDUSSCGKSA-N 2 1 295.402 1.438 20 10 CDCDMP COc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000873216705 969925475 /nfs/dbraw/zinc/92/54/75/969925475.db2.gz RNKOKWLFHREPQP-CMPLNLGQSA-N 2 1 280.368 1.436 20 10 CDCDMP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000185364236 327839035 /nfs/dbraw/zinc/83/90/35/327839035.db2.gz MHWWTYPFBQYYNT-QWHCGFSZSA-N 2 1 295.402 1.818 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000216050046 617634050 /nfs/dbraw/zinc/63/40/50/617634050.db2.gz YPTGOKSRGHVFJK-WDEREUQCSA-N 2 1 250.342 1.570 20 10 CDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775645882 695467767 /nfs/dbraw/zinc/46/77/67/695467767.db2.gz SNFFZKOSLXUFMY-HNNXBMFYSA-N 2 1 289.423 1.659 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775645882 695467770 /nfs/dbraw/zinc/46/77/70/695467770.db2.gz SNFFZKOSLXUFMY-HNNXBMFYSA-N 2 1 289.423 1.659 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc[nH]3)cc2)CC1 ZINC000877672450 695570231 /nfs/dbraw/zinc/57/02/31/695570231.db2.gz FGGLYMDWIMEECL-UHFFFAOYSA-N 2 1 285.395 1.451 20 10 CDCDMP CCOc1ccc(O)c(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000873217634 695759293 /nfs/dbraw/zinc/75/92/93/695759293.db2.gz MSOIHDPNOCNNEM-UHFFFAOYSA-N 2 1 294.395 1.337 20 10 CDCDMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1N(C)C ZINC000815021087 695779921 /nfs/dbraw/zinc/77/99/21/695779921.db2.gz BPNZZRLYDCAYPD-GASCZTMLSA-N 2 1 259.397 1.712 20 10 CDCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1c(O)cccc1Cl ZINC000128326642 695833531 /nfs/dbraw/zinc/83/35/31/695833531.db2.gz DCKPAJZMXYYDSU-UHFFFAOYSA-N 2 1 283.803 1.383 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843112643 695891805 /nfs/dbraw/zinc/89/18/05/695891805.db2.gz JYXWZHDBZHUKPM-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000851900171 696069383 /nfs/dbraw/zinc/06/93/83/696069383.db2.gz QLRWOVWOBIGQRP-QWHCGFSZSA-N 2 1 296.411 1.753 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000851900171 696069389 /nfs/dbraw/zinc/06/93/89/696069389.db2.gz QLRWOVWOBIGQRP-QWHCGFSZSA-N 2 1 296.411 1.753 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843047836 696177967 /nfs/dbraw/zinc/17/79/67/696177967.db2.gz YKGUQWSBTKCUKZ-LLVKDONJSA-N 2 1 250.342 1.572 20 10 CDCDMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000216059049 723775594 /nfs/dbraw/zinc/77/55/94/723775594.db2.gz CCNKSURQSBEUHJ-RYUDHWBXSA-N 2 1 264.369 1.960 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)[NH3+])cc2)CC1 ZINC000841029894 723808807 /nfs/dbraw/zinc/80/88/07/723808807.db2.gz CRJCBTZJGMSLQR-UHFFFAOYSA-N 3 1 276.428 1.265 20 10 CDCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923320150 724449343 /nfs/dbraw/zinc/44/93/43/724449343.db2.gz VMSMQNVPWRCWBP-XIRDDKMYSA-N 2 1 291.439 1.815 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252877060 724511171 /nfs/dbraw/zinc/51/11/71/724511171.db2.gz WNWKOKDBTLKUQM-CQDKDKBSSA-N 2 1 276.380 1.960 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000843052038 725123515 /nfs/dbraw/zinc/12/35/15/725123515.db2.gz OYTSXZRJJGUCOF-NEPJUHHUSA-N 2 1 294.395 1.969 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1[NH3+] ZINC000843053213 725406911 /nfs/dbraw/zinc/40/69/11/725406911.db2.gz ZGYXZUBKGSYPPR-ONGXEEELSA-N 2 1 264.325 1.290 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000817955211 725479107 /nfs/dbraw/zinc/47/91/07/725479107.db2.gz SMFANZUUKVSMOA-VXGBXAGGSA-N 2 1 292.379 1.829 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@H](C)CC[C@@H]2CN)c1 ZINC001205806929 925169661 /nfs/dbraw/zinc/16/96/61/925169661.db2.gz WPFBDICLZQNVPQ-DGCLKSJQSA-N 2 1 264.369 1.960 20 10 CDCDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001169101227 927704314 /nfs/dbraw/zinc/70/43/14/927704314.db2.gz PNFJBKAVZNLXKI-CLLJXQQHSA-N 2 1 262.353 1.813 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001169101227 927704319 /nfs/dbraw/zinc/70/43/19/927704319.db2.gz PNFJBKAVZNLXKI-CLLJXQQHSA-N 2 1 262.353 1.813 20 10 CDCDMP C[NH+](C)CCN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000133872321 937496908 /nfs/dbraw/zinc/49/69/08/937496908.db2.gz FJGPAUYLJHTJOI-UHFFFAOYSA-N 2 1 297.830 1.725 20 10 CDCDMP C[NH+](C)Cc1c(F)cc(N2CC[C@H]([NH3+])C2)cc1F ZINC001164288264 939447068 /nfs/dbraw/zinc/44/70/68/939447068.db2.gz NFVRNIXONNIRBX-VIFPVBQESA-N 2 1 255.312 1.564 20 10 CDCDMP COc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001203599905 939695257 /nfs/dbraw/zinc/69/52/57/939695257.db2.gz NCPDINLOCZYASX-CZUORRHYSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001203599905 939695258 /nfs/dbraw/zinc/69/52/58/939695258.db2.gz NCPDINLOCZYASX-CZUORRHYSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc(O)c1O ZINC001205546649 939900588 /nfs/dbraw/zinc/90/05/88/939900588.db2.gz XSIWRUDEFSNDTB-HNNXBMFYSA-N 2 1 298.358 1.759 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1C[NH3+] ZINC001205639516 939911192 /nfs/dbraw/zinc/91/11/92/939911192.db2.gz ZRIMVJUAVAXBSP-MNOVXSKESA-N 2 1 280.368 1.610 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC[C@@H]1C[NH3+] ZINC001206012969 939967014 /nfs/dbraw/zinc/96/70/14/939967014.db2.gz OJTXOBQMIAPFKZ-WDEREUQCSA-N 2 1 280.368 1.610 20 10 CDCDMP Oc1cc2ccccc2cc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235062038 944035230 /nfs/dbraw/zinc/03/52/30/944035230.db2.gz NUQJQBBMFUTGBN-GOSISDBHSA-N 2 1 297.402 1.683 20 10 CDCDMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC001261424578 946113077 /nfs/dbraw/zinc/11/30/77/946113077.db2.gz XYBLHXLNGXNJPO-WDEREUQCSA-N 2 1 280.368 1.827 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000817955208 724383754 /nfs/dbraw/zinc/38/37/54/724383754.db2.gz SMFANZUUKVSMOA-NEPJUHHUSA-N 2 1 292.379 1.829 20 10 CDCDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889795 618482993 /nfs/dbraw/zinc/48/29/93/618482993.db2.gz VXPHQMWPHMWNCM-GJZGRUSLSA-N 2 1 293.386 1.632 20 10 CDCDMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000228414527 1165607363 /nfs/dbraw/zinc/60/73/63/1165607363.db2.gz NSFVZUFUIVIRJD-ZDUSSCGKSA-N 2 1 252.358 1.185 20 10 CDCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCCO1 ZINC000313345636 726132508 /nfs/dbraw/zinc/13/25/08/726132508.db2.gz RFNLDCLHYCNXBY-LBPRGKRZSA-N 2 1 254.305 1.081 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCCO1 ZINC000313345636 726132511 /nfs/dbraw/zinc/13/25/11/726132511.db2.gz RFNLDCLHYCNXBY-LBPRGKRZSA-N 2 1 254.305 1.081 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000076525541 726011804 /nfs/dbraw/zinc/01/18/04/726011804.db2.gz ARRDEFBKJPQCLI-QGZVFWFLSA-N 2 1 288.439 1.232 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000848896119 726195752 /nfs/dbraw/zinc/19/57/52/726195752.db2.gz SIQGEWAQJVAMSK-HZPDHXFCSA-N 2 1 290.407 1.907 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000848896119 726195753 /nfs/dbraw/zinc/19/57/53/726195753.db2.gz SIQGEWAQJVAMSK-HZPDHXFCSA-N 2 1 290.407 1.907 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171746 726201707 /nfs/dbraw/zinc/20/17/07/726201707.db2.gz FXMVBDOIIDMCQB-NEPJUHHUSA-N 2 1 264.369 1.960 20 10 CDCDMP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000090720547 727816634 /nfs/dbraw/zinc/81/66/34/727816634.db2.gz LLOXYNQZLBDAQZ-JQWIXIFHSA-N 2 1 278.352 1.693 20 10 CDCDMP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000090720547 727816636 /nfs/dbraw/zinc/81/66/36/727816636.db2.gz LLOXYNQZLBDAQZ-JQWIXIFHSA-N 2 1 278.352 1.693 20 10 CDCDMP C[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)N1CC[NH+](C)CC1 ZINC000886524889 727848563 /nfs/dbraw/zinc/84/85/63/727848563.db2.gz STLUZRJZKQLECJ-CHWSQXEVSA-N 2 1 295.402 1.818 20 10 CDCDMP Oc1ccc(F)cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312442857 728006462 /nfs/dbraw/zinc/00/64/62/728006462.db2.gz XFHFONOZUSWNDP-CQSZACIVSA-N 2 1 279.359 1.011 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(OC)c1 ZINC001206175320 911929732 /nfs/dbraw/zinc/92/97/32/911929732.db2.gz UFDZUUBFXCSMLE-QWHCGFSZSA-N 2 1 298.358 1.671 20 10 CDCDMP Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205228929 919216619 /nfs/dbraw/zinc/21/66/19/919216619.db2.gz KICJYOSHDAGAAZ-HNNXBMFYSA-N 2 1 264.369 1.376 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205762108 924833282 /nfs/dbraw/zinc/83/32/82/924833282.db2.gz KCGMXAMXAJUYIH-LLVKDONJSA-N 2 1 286.322 1.817 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205762108 924833293 /nfs/dbraw/zinc/83/32/93/924833293.db2.gz KCGMXAMXAJUYIH-LLVKDONJSA-N 2 1 286.322 1.817 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843051937 937107059 /nfs/dbraw/zinc/10/70/59/937107059.db2.gz MYFNSAYZHWWWLZ-PWSUYJOCSA-N 2 1 250.342 1.570 20 10 CDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001275913748 932126476 /nfs/dbraw/zinc/12/64/76/932126476.db2.gz QHSXEVAGEZNBBQ-GASCZTMLSA-N 2 1 293.386 1.351 20 10 CDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001275913748 932126477 /nfs/dbraw/zinc/12/64/77/932126477.db2.gz QHSXEVAGEZNBBQ-GASCZTMLSA-N 2 1 293.386 1.351 20 10 CDCDMP CCOc1cccc(C[N@H+](C)CC(C)(C)[NH3+])c1O ZINC000692057987 934234629 /nfs/dbraw/zinc/23/46/29/934234629.db2.gz JZQIAFILGQWDAI-UHFFFAOYSA-N 2 1 252.358 1.960 20 10 CDCDMP CCOc1cccc(C[N@@H+](C)CC(C)(C)[NH3+])c1O ZINC000692057987 934234640 /nfs/dbraw/zinc/23/46/40/934234640.db2.gz JZQIAFILGQWDAI-UHFFFAOYSA-N 2 1 252.358 1.960 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205209709 939835536 /nfs/dbraw/zinc/83/55/36/939835536.db2.gz KNBVMXZPTILHPY-MRXNPFEDSA-N 2 1 277.412 1.428 20 10 CDCDMP COc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001231855708 943030520 /nfs/dbraw/zinc/03/05/20/943030520.db2.gz ZRMDMONWZNALHZ-GASCZTMLSA-N 2 1 289.423 1.755 20 10 CDCDMP COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001231855708 943030527 /nfs/dbraw/zinc/03/05/27/943030527.db2.gz ZRMDMONWZNALHZ-GASCZTMLSA-N 2 1 289.423 1.755 20 10 CDCDMP COc1cc(N(C)C)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001231855708 943030533 /nfs/dbraw/zinc/03/05/33/943030533.db2.gz ZRMDMONWZNALHZ-GASCZTMLSA-N 2 1 289.423 1.755 20 10 CDCDMP COc1cc(N(C)C)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001231855708 943030543 /nfs/dbraw/zinc/03/05/43/943030543.db2.gz ZRMDMONWZNALHZ-GASCZTMLSA-N 2 1 289.423 1.755 20 10 CDCDMP Cc1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC001235051575 944023860 /nfs/dbraw/zinc/02/38/60/944023860.db2.gz AFBNNNZAPSMVHX-KRWDZBQOSA-N 2 1 288.439 1.198 20 10 CDCDMP Cc1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC001235051575 944023865 /nfs/dbraw/zinc/02/38/65/944023865.db2.gz AFBNNNZAPSMVHX-KRWDZBQOSA-N 2 1 288.439 1.198 20 10 CDCDMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988916 944352471 /nfs/dbraw/zinc/35/24/71/944352471.db2.gz IUPBXRATRGZEJD-NHYWBVRUSA-N 2 1 262.353 1.632 20 10 CDCDMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988916 944352477 /nfs/dbraw/zinc/35/24/77/944352477.db2.gz IUPBXRATRGZEJD-NHYWBVRUSA-N 2 1 262.353 1.632 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C3)c(F)c2)CC1 ZINC001236931250 944618544 /nfs/dbraw/zinc/61/85/44/944618544.db2.gz IBIWOVVKVPGSHQ-OAHLLOKOSA-N 2 1 293.386 1.144 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC2(CC[NH2+]CC2)O1 ZINC001576807675 1171526565 /nfs/dbraw/zinc/52/65/65/1171526565.db2.gz UQRSBTTVLZFBOH-LBPRGKRZSA-N 2 1 294.370 1.874 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000843057541 618691194 /nfs/dbraw/zinc/69/11/94/618691194.db2.gz JNURRONSTUCQRI-RYUDHWBXSA-N 2 1 264.369 1.960 20 10 CDCDMP C[N@@H+](CCF)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816640819 729186075 /nfs/dbraw/zinc/18/60/75/729186075.db2.gz XTMGBNXJAUCPPB-UHFFFAOYSA-N 2 1 265.376 1.840 20 10 CDCDMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817966242 729221482 /nfs/dbraw/zinc/22/14/82/729221482.db2.gz JOQBGXUHCWVDMT-NEPJUHHUSA-N 2 1 281.375 1.660 20 10 CDCDMP CC[NH2+]CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000841034969 729390702 /nfs/dbraw/zinc/39/07/02/729390702.db2.gz FMUPFIHKCBXYRC-UHFFFAOYSA-N 2 1 277.412 1.863 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000126904839 729801833 /nfs/dbraw/zinc/80/18/33/729801833.db2.gz SIDALCANVWGRMT-QWRGUYRKSA-N 2 1 250.342 1.570 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000817969587 729804330 /nfs/dbraw/zinc/80/43/30/729804330.db2.gz XVNCDPZIMIPTTI-DGCLKSJQSA-N 2 1 292.379 1.972 20 10 CDCDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843051080 729896946 /nfs/dbraw/zinc/89/69/46/729896946.db2.gz DHWMANPGQLNWPL-WDEREUQCSA-N 2 1 278.352 1.680 20 10 CDCDMP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000090721536 729917828 /nfs/dbraw/zinc/91/78/28/729917828.db2.gz JLYQHVNTVKHADE-DGCLKSJQSA-N 2 1 264.369 1.973 20 10 CDCDMP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000090721536 729917829 /nfs/dbraw/zinc/91/78/29/729917829.db2.gz JLYQHVNTVKHADE-DGCLKSJQSA-N 2 1 264.369 1.973 20 10 CDCDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1F ZINC001206152807 911054393 /nfs/dbraw/zinc/05/43/93/911054393.db2.gz AZPJQEICVYISHW-QWRGUYRKSA-N 2 1 254.305 1.359 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1F ZINC001206152807 911054414 /nfs/dbraw/zinc/05/44/14/911054414.db2.gz AZPJQEICVYISHW-QWRGUYRKSA-N 2 1 254.305 1.359 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1F ZINC001206185061 912128655 /nfs/dbraw/zinc/12/86/55/912128655.db2.gz KXIPOGGXKIWDGC-WDEREUQCSA-N 2 1 270.304 1.065 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000843120432 919693176 /nfs/dbraw/zinc/69/31/76/919693176.db2.gz KOFAFAGDLSSGMP-INIZCTEOSA-N 2 1 292.379 1.595 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000843120432 919693187 /nfs/dbraw/zinc/69/31/87/919693187.db2.gz KOFAFAGDLSSGMP-INIZCTEOSA-N 2 1 292.379 1.595 20 10 CDCDMP Cc1cc(C[NH+]2CCC([NH2+]CCO)CC2)ccc1N(C)C ZINC000923411253 923816785 /nfs/dbraw/zinc/81/67/85/923816785.db2.gz BDVMFMYLNIPJBF-UHFFFAOYSA-N 2 1 291.439 1.607 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1F ZINC000843125452 937115288 /nfs/dbraw/zinc/11/52/88/937115288.db2.gz WXZKYJILPFNQSV-UHFFFAOYSA-N 2 1 251.349 1.813 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205228671 939839204 /nfs/dbraw/zinc/83/92/04/939839204.db2.gz HEWYIPDVGLKDSB-HNNXBMFYSA-N 2 1 280.368 1.082 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205248452 939842757 /nfs/dbraw/zinc/84/27/57/939842757.db2.gz PLCURDZUYPBQRA-MRXNPFEDSA-N 2 1 294.395 1.385 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)CC[C@@H]1C[NH3+] ZINC001205627702 939910350 /nfs/dbraw/zinc/91/03/50/939910350.db2.gz RTVLXLSNAMYKTE-NWDGAFQWSA-N 2 1 264.369 1.905 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205662572 939913460 /nfs/dbraw/zinc/91/34/60/939913460.db2.gz CGKBYCXZIVYAPO-MRXNPFEDSA-N 2 1 277.412 1.428 20 10 CDCDMP Oc1cccc(Cl)c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222094738 941563584 /nfs/dbraw/zinc/56/35/84/941563584.db2.gz JIOHLMISIRLGEI-UHFFFAOYSA-N 2 1 295.814 1.573 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)c1 ZINC001232840524 943417245 /nfs/dbraw/zinc/41/72/45/943417245.db2.gz CBZGOSMNHIRTNC-RHSMWYFYSA-N 2 1 289.423 1.842 20 10 CDCDMP Cc1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC001235051577 944024721 /nfs/dbraw/zinc/02/47/21/944024721.db2.gz AFBNNNZAPSMVHX-QGZVFWFLSA-N 2 1 288.439 1.198 20 10 CDCDMP Cc1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC001235051577 944024728 /nfs/dbraw/zinc/02/47/28/944024728.db2.gz AFBNNNZAPSMVHX-QGZVFWFLSA-N 2 1 288.439 1.198 20 10 CDCDMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246248856 948054425 /nfs/dbraw/zinc/05/44/25/948054425.db2.gz WCLUWSWQQDKAKE-CMPLNLGQSA-N 2 1 250.342 1.370 20 10 CDCDMP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001253214992 951816170 /nfs/dbraw/zinc/81/61/70/951816170.db2.gz UUGJIILIVUYARP-CQSZACIVSA-N 2 1 266.385 1.493 20 10 CDCDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768448665 576284772 /nfs/dbraw/zinc/28/47/72/576284772.db2.gz WDCNPTTUZIFLJZ-ABAIWWIYSA-N 2 1 292.379 1.202 20 10 CDCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768448665 576284773 /nfs/dbraw/zinc/28/47/73/576284773.db2.gz WDCNPTTUZIFLJZ-ABAIWWIYSA-N 2 1 292.379 1.202 20 10 CDCDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843129992 618694446 /nfs/dbraw/zinc/69/44/46/618694446.db2.gz WIBRDMHGHYFHOL-LSDHHAIUSA-N 2 1 290.455 1.654 20 10 CDCDMP Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(O)c1 ZINC000037140887 1165761993 /nfs/dbraw/zinc/76/19/93/1165761993.db2.gz KQZLVZYAAVGHHB-UHFFFAOYSA-N 2 1 262.353 1.814 20 10 CDCDMP Cc1ccc(O)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000113336927 730728972 /nfs/dbraw/zinc/72/89/72/730728972.db2.gz DQHUYZUNEPUWOL-UHFFFAOYSA-N 2 1 291.439 1.818 20 10 CDCDMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000702637001 732705325 /nfs/dbraw/zinc/70/53/25/732705325.db2.gz RJKPIHJOWGKFDJ-IUODEOHRSA-N 2 1 264.369 1.418 20 10 CDCDMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000702637001 732705318 /nfs/dbraw/zinc/70/53/18/732705318.db2.gz RJKPIHJOWGKFDJ-IUODEOHRSA-N 2 1 264.369 1.418 20 10 CDCDMP CCOc1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1O ZINC000873217657 1165524929 /nfs/dbraw/zinc/52/49/29/1165524929.db2.gz NUECZGBRTDYWHM-UHFFFAOYSA-N 2 1 294.395 1.337 20 10 CDCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205959361 1167346237 /nfs/dbraw/zinc/34/62/37/1167346237.db2.gz NYRNUPCXQNZBCA-GDBMZVCRSA-N 2 1 293.411 1.132 20 10 CDCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001205273609 918512819 /nfs/dbraw/zinc/51/28/19/918512819.db2.gz MMNJMTKZAQDAQC-CQSZACIVSA-N 2 1 250.342 1.801 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1O ZINC001205829379 925359311 /nfs/dbraw/zinc/35/93/11/925359311.db2.gz OVNFEJFAYQVRQF-MFKMUULPSA-N 2 1 264.369 1.965 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1O ZINC001205829379 925359319 /nfs/dbraw/zinc/35/93/19/925359319.db2.gz OVNFEJFAYQVRQF-MFKMUULPSA-N 2 1 264.369 1.965 20 10 CDCDMP CC[N@@H+](Cc1c(O)cc(O)cc1O)C1CCN(C)CC1 ZINC001144508900 931874848 /nfs/dbraw/zinc/87/48/48/931874848.db2.gz CLCXWQHFYPHJEZ-UHFFFAOYSA-N 2 1 280.368 1.720 20 10 CDCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144516458 931881447 /nfs/dbraw/zinc/88/14/47/931881447.db2.gz YTPZXBTYRQMYLI-TXEJJXNPSA-N 2 1 292.379 1.577 20 10 CDCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144516458 931881453 /nfs/dbraw/zinc/88/14/53/931881453.db2.gz YTPZXBTYRQMYLI-TXEJJXNPSA-N 2 1 292.379 1.577 20 10 CDCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144516458 931881454 /nfs/dbraw/zinc/88/14/54/931881454.db2.gz YTPZXBTYRQMYLI-TXEJJXNPSA-N 2 1 292.379 1.577 20 10 CDCDMP C[NH+](C)Cc1c(F)cc(N2CC[C@@H]([NH3+])C2)cc1F ZINC001164288259 939447198 /nfs/dbraw/zinc/44/71/98/939447198.db2.gz NFVRNIXONNIRBX-SECBINFHSA-N 2 1 255.312 1.564 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205228677 939838643 /nfs/dbraw/zinc/83/86/43/939838643.db2.gz HEWYIPDVGLKDSB-OAHLLOKOSA-N 2 1 280.368 1.082 20 10 CDCDMP C[C@@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246175692 948010485 /nfs/dbraw/zinc/01/04/85/948010485.db2.gz VJDDZEBHMKNGPG-GDBMZVCRSA-N 2 1 288.439 1.326 20 10 CDCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001320217323 959012357 /nfs/dbraw/zinc/01/23/57/959012357.db2.gz DMBRVZXUWARSMB-KRWDZBQOSA-N 2 1 289.423 1.443 20 10 CDCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001320217323 959012375 /nfs/dbraw/zinc/01/23/75/959012375.db2.gz DMBRVZXUWARSMB-KRWDZBQOSA-N 2 1 289.423 1.443 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)c1O ZINC000071141843 176039847 /nfs/dbraw/zinc/03/98/47/176039847.db2.gz FPRQXDCXUQLBTO-GFCCVEGCSA-N 2 1 264.369 1.832 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)c1O ZINC000071141845 176040440 /nfs/dbraw/zinc/04/04/40/176040440.db2.gz FPRQXDCXUQLBTO-LBPRGKRZSA-N 2 1 264.369 1.832 20 10 CDCDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1O ZINC000091662200 260266362 /nfs/dbraw/zinc/26/63/62/260266362.db2.gz KBGZFIYNAOOLAH-BFHYXJOUSA-N 2 1 276.380 1.906 20 10 CDCDMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1O ZINC000091662200 260266363 /nfs/dbraw/zinc/26/63/63/260266363.db2.gz KBGZFIYNAOOLAH-BFHYXJOUSA-N 2 1 276.380 1.906 20 10 CDCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904420359 626294788 /nfs/dbraw/zinc/29/47/88/626294788.db2.gz LUBWLJZEPDWDMU-WCQYABFASA-N 2 1 292.379 1.451 20 10 CDCDMP CCOc1ccc(O)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000841085525 628209831 /nfs/dbraw/zinc/20/98/31/628209831.db2.gz GDHFAEOXYMXTIL-CQSZACIVSA-N 2 1 280.368 1.259 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000227056762 1161005637 /nfs/dbraw/zinc/00/56/37/1161005637.db2.gz NWELMVBKDFDFAQ-CMPLNLGQSA-N 2 1 250.342 1.570 20 10 CDCDMP C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)N1CC[NH+](C)CC1 ZINC000886524890 735405227 /nfs/dbraw/zinc/40/52/27/735405227.db2.gz STLUZRJZKQLECJ-OLZOCXBDSA-N 2 1 295.402 1.818 20 10 CDCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000702566583 734529643 /nfs/dbraw/zinc/52/96/43/734529643.db2.gz JWVHRPAEGDBOGW-XJKSGUPXSA-N 2 1 277.412 1.470 20 10 CDCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000702566583 734529648 /nfs/dbraw/zinc/52/96/48/734529648.db2.gz JWVHRPAEGDBOGW-XJKSGUPXSA-N 2 1 277.412 1.470 20 10 CDCDMP CCOc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1O ZINC000313356746 734837436 /nfs/dbraw/zinc/83/74/36/734837436.db2.gz PBRVSGHUDCCTOR-CYBMUJFWSA-N 2 1 280.368 1.341 20 10 CDCDMP CCOc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1O ZINC000313356746 734837439 /nfs/dbraw/zinc/83/74/39/734837439.db2.gz PBRVSGHUDCCTOR-CYBMUJFWSA-N 2 1 280.368 1.341 20 10 CDCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992043 914502841 /nfs/dbraw/zinc/50/28/41/914502841.db2.gz PZBUQJRBDMVYHO-DOMZBBRYSA-N 2 1 261.369 1.381 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992043 914502850 /nfs/dbraw/zinc/50/28/50/914502850.db2.gz PZBUQJRBDMVYHO-DOMZBBRYSA-N 2 1 261.369 1.381 20 10 CDCDMP Cc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205240907 919366690 /nfs/dbraw/zinc/36/66/90/919366690.db2.gz PJAAGLXXTNZMQN-OAHLLOKOSA-N 2 1 264.369 1.376 20 10 CDCDMP Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205680826 924397269 /nfs/dbraw/zinc/39/72/69/924397269.db2.gz BPXMAPXJGHUYTN-HNNXBMFYSA-N 2 1 264.369 1.376 20 10 CDCDMP COCC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116439688 937449039 /nfs/dbraw/zinc/44/90/39/937449039.db2.gz NJIZCTSUWXAOIY-UHFFFAOYSA-N 2 1 295.402 1.656 20 10 CDCDMP COCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116439688 937449043 /nfs/dbraw/zinc/44/90/43/937449043.db2.gz NJIZCTSUWXAOIY-UHFFFAOYSA-N 2 1 295.402 1.656 20 10 CDCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001205578625 939905316 /nfs/dbraw/zinc/90/53/16/939905316.db2.gz HISUMSZBXPHCAV-CQSZACIVSA-N 2 1 284.331 1.456 20 10 CDCDMP CN(C)c1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(O)c1 ZINC001232834756 943413408 /nfs/dbraw/zinc/41/34/08/943413408.db2.gz LPZKPSRIXNQUIN-UHFFFAOYSA-N 2 1 277.412 1.984 20 10 CDCDMP Oc1c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)ccc2ccccc21 ZINC001235060576 944034450 /nfs/dbraw/zinc/03/44/50/944034450.db2.gz GNYYYULHINTJOK-GOSISDBHSA-N 2 1 297.402 1.683 20 10 CDCDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000374286025 391157940 /nfs/dbraw/zinc/15/79/40/391157940.db2.gz WLYQJGLMUPWSJV-INIZCTEOSA-N 2 1 289.423 1.604 20 10 CDCDMP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(O)c1 ZINC000770395727 575445190 /nfs/dbraw/zinc/44/51/90/575445190.db2.gz UKXPYMDENSAIFY-BETUJISGSA-N 2 1 262.353 1.442 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000841100854 618682200 /nfs/dbraw/zinc/68/22/00/618682200.db2.gz MCUUIYIJNRTHFD-DGCLKSJQSA-N 2 1 294.395 1.826 20 10 CDCDMP C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1C[NH3+] ZINC000841100534 618682312 /nfs/dbraw/zinc/68/23/12/618682312.db2.gz HCLNCBUIHSIMGI-JQWIXIFHSA-N 2 1 252.333 1.948 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C[NH3+] ZINC000841100534 618682315 /nfs/dbraw/zinc/68/23/15/618682315.db2.gz HCLNCBUIHSIMGI-JQWIXIFHSA-N 2 1 252.333 1.948 20 10 CDCDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1 ZINC000090721819 737226562 /nfs/dbraw/zinc/22/65/62/737226562.db2.gz CXMFOMKAMQTACE-AAEUAGOBSA-N 2 1 264.369 1.973 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1O ZINC000094339021 736351509 /nfs/dbraw/zinc/35/15/09/736351509.db2.gz NWELMVBKDFDFAQ-PWSUYJOCSA-N 2 1 250.342 1.570 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000071148718 737519633 /nfs/dbraw/zinc/51/96/33/737519633.db2.gz VZOKZBCQTAOWIO-UHFFFAOYSA-N 2 1 276.428 1.090 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000843113630 739019515 /nfs/dbraw/zinc/01/95/15/739019515.db2.gz ZPOSPSPTMPCZQB-GFCCVEGCSA-N 2 1 294.395 1.970 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(OC)c1 ZINC001206175319 911925925 /nfs/dbraw/zinc/92/59/25/911925925.db2.gz UFDZUUBFXCSMLE-OLZOCXBDSA-N 2 1 298.358 1.671 20 10 CDCDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)CC(C)=O)cc2)CC1 ZINC001140302455 936699570 /nfs/dbraw/zinc/69/95/70/936699570.db2.gz RLXJFRZSKKQYPI-UHFFFAOYSA-N 2 1 289.423 1.849 20 10 CDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CC(C)=O)cc2)CC1 ZINC001140302455 936699571 /nfs/dbraw/zinc/69/95/71/936699571.db2.gz RLXJFRZSKKQYPI-UHFFFAOYSA-N 2 1 289.423 1.849 20 10 CDCDMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@H]2C1 ZINC001141162866 936823595 /nfs/dbraw/zinc/82/35/95/936823595.db2.gz IMNRWMPVGZIQOO-CHWSQXEVSA-N 2 1 262.353 1.481 20 10 CDCDMP Oc1c(F)cccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841077745 936974764 /nfs/dbraw/zinc/97/47/64/936974764.db2.gz CJWNMZWMIRHBMH-LBPRGKRZSA-N 2 1 250.317 1.763 20 10 CDCDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001169101228 927701081 /nfs/dbraw/zinc/70/10/81/927701081.db2.gz PNFJBKAVZNLXKI-XYYAHUGASA-N 2 1 262.353 1.813 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001169101228 927701088 /nfs/dbraw/zinc/70/10/88/927701088.db2.gz PNFJBKAVZNLXKI-XYYAHUGASA-N 2 1 262.353 1.813 20 10 CDCDMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(O)c1 ZINC001236313977 944464148 /nfs/dbraw/zinc/46/41/48/944464148.db2.gz CTDKRTRFUSZNID-BETUJISGSA-N 2 1 276.380 1.832 20 10 CDCDMP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000078638620 260168389 /nfs/dbraw/zinc/16/83/89/260168389.db2.gz MNKSUBBOFJJVEM-CABCVRRESA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252673816 334384833 /nfs/dbraw/zinc/38/48/33/334384833.db2.gz MNKSUBBOFJJVEM-LSDHHAIUSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252673816 334384835 /nfs/dbraw/zinc/38/48/35/334384835.db2.gz MNKSUBBOFJJVEM-LSDHHAIUSA-N 2 1 276.380 1.653 20 10 CDCDMP Oc1cc2c(cc1C[NH2+]C1CC[NH+](C3CC3)CC1)OCO2 ZINC000042880061 526337334 /nfs/dbraw/zinc/33/73/34/526337334.db2.gz GOZNWLMGUJCHPC-UHFFFAOYSA-N 2 1 290.363 1.837 20 10 CDCDMP Oc1c(F)cccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120672 739893088 /nfs/dbraw/zinc/89/30/88/739893088.db2.gz AVDFMWPTIKNQJO-CYBMUJFWSA-N 2 1 279.359 1.011 20 10 CDCDMP Oc1c(F)cccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120672 739893091 /nfs/dbraw/zinc/89/30/91/739893091.db2.gz AVDFMWPTIKNQJO-CYBMUJFWSA-N 2 1 279.359 1.011 20 10 CDCDMP CCN(C)C[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846843443 741164819 /nfs/dbraw/zinc/16/48/19/741164819.db2.gz CMWMBOHDCOTSCW-VXGBXAGGSA-N 2 1 282.384 1.364 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000817970870 741861413 /nfs/dbraw/zinc/86/14/13/741861413.db2.gz GNAFJKRNKBGUPO-GMXVVIOVSA-N 2 1 292.379 1.970 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000817970871 741877035 /nfs/dbraw/zinc/87/70/35/741877035.db2.gz GNAFJKRNKBGUPO-GVXVVHGQSA-N 2 1 292.379 1.970 20 10 CDCDMP CCc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000706239461 739799771 /nfs/dbraw/zinc/79/97/71/739799771.db2.gz XKNPOBCVQNXVJK-GASCZTMLSA-N 2 1 260.381 1.948 20 10 CDCDMP CCc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC000706239461 739799776 /nfs/dbraw/zinc/79/97/76/739799776.db2.gz XKNPOBCVQNXVJK-GASCZTMLSA-N 2 1 260.381 1.948 20 10 CDCDMP CCc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC000706239461 739799782 /nfs/dbraw/zinc/79/97/82/739799782.db2.gz XKNPOBCVQNXVJK-GASCZTMLSA-N 2 1 260.381 1.948 20 10 CDCDMP COc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1O ZINC000132208752 740382765 /nfs/dbraw/zinc/38/27/65/740382765.db2.gz MUXPSSHRYDYDDF-UHFFFAOYSA-N 2 1 264.369 1.927 20 10 CDCDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843117380 740597098 /nfs/dbraw/zinc/59/70/98/740597098.db2.gz PCFPGQHWLZIZGX-AWEZNQCLSA-N 2 1 264.325 1.292 20 10 CDCDMP COC[C@@]1(C[NH2+][C@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000817974389 741794100 /nfs/dbraw/zinc/79/41/00/741794100.db2.gz LCSGZFOGZVXTQW-DOMZBBRYSA-N 2 1 264.369 1.811 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205228717 919213533 /nfs/dbraw/zinc/21/35/33/919213533.db2.gz IHEGKODETMRQGR-AWEZNQCLSA-N 2 1 286.322 1.346 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205228717 919213544 /nfs/dbraw/zinc/21/35/44/919213544.db2.gz IHEGKODETMRQGR-AWEZNQCLSA-N 2 1 286.322 1.346 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139253010 936611967 /nfs/dbraw/zinc/61/19/67/936611967.db2.gz INCZZCDYBODVAZ-CYBMUJFWSA-N 2 1 280.368 1.029 20 10 CDCDMP CCOc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205725781 924719237 /nfs/dbraw/zinc/71/92/37/924719237.db2.gz KXYBEPCPKAHTDH-MRXNPFEDSA-N 2 1 294.395 1.467 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCC[C@H]1C[NH3+] ZINC001205994669 939964796 /nfs/dbraw/zinc/96/47/96/939964796.db2.gz LSEZFMYNZJLVCU-RYUDHWBXSA-N 2 1 264.369 1.905 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC000312108096 941342302 /nfs/dbraw/zinc/34/23/02/941342302.db2.gz LBJWTBJPBVGQCE-LBPRGKRZSA-N 2 1 264.369 1.962 20 10 CDCDMP c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC001261370410 946079883 /nfs/dbraw/zinc/07/98/83/946079883.db2.gz IONXHDGJSFMCNX-QGZVFWFLSA-N 2 1 289.423 1.755 20 10 CDCDMP C[N@@H+]1CC=C(c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001241326955 946221871 /nfs/dbraw/zinc/22/18/71/946221871.db2.gz CRLVFXCOBYSOQN-UHFFFAOYSA-N 2 1 257.381 1.815 20 10 CDCDMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246248861 948055417 /nfs/dbraw/zinc/05/54/17/948055417.db2.gz WCLUWSWQQDKAKE-PWSUYJOCSA-N 2 1 250.342 1.370 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000273445951 365495973 /nfs/dbraw/zinc/49/59/73/365495973.db2.gz ZTJGYZUKVCLJPM-DGCLKSJQSA-N 2 1 292.379 1.924 20 10 CDCDMP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)ccc1N(C)C ZINC001235984878 1161200489 /nfs/dbraw/zinc/20/04/89/1161200489.db2.gz BMHXKBZNTMIRNX-GDBMZVCRSA-N 2 1 259.397 1.984 20 10 CDCDMP Cc1cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)ccc1N(C)C ZINC001235984878 1161200496 /nfs/dbraw/zinc/20/04/96/1161200496.db2.gz BMHXKBZNTMIRNX-GDBMZVCRSA-N 2 1 259.397 1.984 20 10 CDCDMP c1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1)CCCO2 ZINC000904358093 626266141 /nfs/dbraw/zinc/26/61/41/626266141.db2.gz HUHYLEGOPGKXJS-HNNXBMFYSA-N 2 1 276.380 1.480 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421222 626295474 /nfs/dbraw/zinc/29/54/74/626295474.db2.gz UKCXVCPYMJZGSP-NWDGAFQWSA-N 2 1 262.353 1.442 20 10 CDCDMP C[N@H+]1CC[C@@](O)(CNCc2ccc3c(c2)CCCO3)C1 ZINC000921997922 745333706 /nfs/dbraw/zinc/33/37/06/745333706.db2.gz AGFIIZKAVCMASU-MRXNPFEDSA-N 2 1 276.380 1.168 20 10 CDCDMP CN1CC[C@@](O)(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921997922 745333711 /nfs/dbraw/zinc/33/37/11/745333711.db2.gz AGFIIZKAVCMASU-MRXNPFEDSA-N 2 1 276.380 1.168 20 10 CDCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921997922 745333717 /nfs/dbraw/zinc/33/37/17/745333717.db2.gz AGFIIZKAVCMASU-MRXNPFEDSA-N 2 1 276.380 1.168 20 10 CDCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921997922 745333724 /nfs/dbraw/zinc/33/37/24/745333724.db2.gz AGFIIZKAVCMASU-MRXNPFEDSA-N 2 1 276.380 1.168 20 10 CDCDMP COCC[NH+]1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876987028 745586417 /nfs/dbraw/zinc/58/64/17/745586417.db2.gz PWHKSCIREQLRHE-UHFFFAOYSA-N 2 1 278.396 1.901 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000841028237 746294602 /nfs/dbraw/zinc/29/46/02/746294602.db2.gz MZOCMCIPYSPRCU-LLVKDONJSA-N 2 1 266.341 1.236 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000817984346 746877016 /nfs/dbraw/zinc/87/70/16/746877016.db2.gz QQSRVZUQPNIWCQ-LLVKDONJSA-N 2 1 292.379 1.972 20 10 CDCDMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1C ZINC000841087242 748887195 /nfs/dbraw/zinc/88/71/95/748887195.db2.gz SCDZGERXHRBCBL-AWEZNQCLSA-N 2 1 264.369 1.472 20 10 CDCDMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206174534 911909499 /nfs/dbraw/zinc/90/94/99/911909499.db2.gz NSFIMYWSHSQBIF-STQMWFEESA-N 2 1 252.333 1.962 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)cc2)CC1 ZINC001139409530 936618246 /nfs/dbraw/zinc/61/82/46/936618246.db2.gz MBMRMBTXEYOLHC-IRXDYDNUSA-N 2 1 287.407 1.412 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3CO4)cc2)CC1 ZINC001139409530 936618248 /nfs/dbraw/zinc/61/82/48/936618248.db2.gz MBMRMBTXEYOLHC-IRXDYDNUSA-N 2 1 287.407 1.412 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2[C@@H](C)CC[C@H]2CN)c1O ZINC001205069213 939820044 /nfs/dbraw/zinc/82/00/44/939820044.db2.gz WFGROKKMPNNEOR-CABZTGNLSA-N 2 1 250.342 1.718 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205069213 939820046 /nfs/dbraw/zinc/82/00/46/939820046.db2.gz WFGROKKMPNNEOR-CABZTGNLSA-N 2 1 250.342 1.718 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205069213 939820047 /nfs/dbraw/zinc/82/00/47/939820047.db2.gz WFGROKKMPNNEOR-CABZTGNLSA-N 2 1 250.342 1.718 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001205221169 939837675 /nfs/dbraw/zinc/83/76/75/939837675.db2.gz QHXFLQLUJUSUOZ-AWEZNQCLSA-N 2 1 268.332 1.207 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001205221169 939837678 /nfs/dbraw/zinc/83/76/78/939837678.db2.gz QHXFLQLUJUSUOZ-AWEZNQCLSA-N 2 1 268.332 1.207 20 10 CDCDMP Oc1cccc(Cl)c1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502602 941604736 /nfs/dbraw/zinc/60/47/36/941604736.db2.gz NNZJVBGMKSWGMX-KBPBESRZSA-N 2 1 295.814 1.571 20 10 CDCDMP Cc1c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235055225 944029822 /nfs/dbraw/zinc/02/98/22/944029822.db2.gz STDLXVRMHMHKRF-SFHVURJKSA-N 2 1 298.434 1.624 20 10 CDCDMP Cc1c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235055225 944029827 /nfs/dbraw/zinc/02/98/27/944029827.db2.gz STDLXVRMHMHKRF-SFHVURJKSA-N 2 1 298.434 1.624 20 10 CDCDMP Cc1cc(C)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235060715 944035055 /nfs/dbraw/zinc/03/50/55/944035055.db2.gz IPPJDEKWWFVMSF-MRXNPFEDSA-N 2 1 275.396 1.146 20 10 CDCDMP CCc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235062881 944036203 /nfs/dbraw/zinc/03/62/03/944036203.db2.gz QIKXOFOBEAYYPB-MRXNPFEDSA-N 2 1 275.396 1.092 20 10 CDCDMP CCc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235062881 944036210 /nfs/dbraw/zinc/03/62/10/944036210.db2.gz QIKXOFOBEAYYPB-MRXNPFEDSA-N 2 1 275.396 1.092 20 10 CDCDMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001328677714 955410911 /nfs/dbraw/zinc/41/09/11/955410911.db2.gz SXLWQFXFOLPNFM-SECBINFHSA-N 2 1 283.328 1.397 20 10 CDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001331417915 957039386 /nfs/dbraw/zinc/03/93/86/957039386.db2.gz DQIISZWDGXHTTP-QGZVFWFLSA-N 2 1 289.423 1.836 20 10 CDCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(N)cc1 ZINC001345159339 964609959 /nfs/dbraw/zinc/60/99/59/964609959.db2.gz GLVHDQFPPRSGFF-ZACQAIPSSA-N 2 1 289.423 1.952 20 10 CDCDMP CCN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000773748068 575837489 /nfs/dbraw/zinc/83/74/89/575837489.db2.gz WBBRZUTWQRLJCT-GASCZTMLSA-N 2 1 259.397 1.794 20 10 CDCDMP CCOc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(O)c1 ZINC000841100200 618682279 /nfs/dbraw/zinc/68/22/79/618682279.db2.gz GLCRXSABLXJKEM-AWEZNQCLSA-N 2 1 280.368 1.341 20 10 CDCDMP CCOc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(O)c1 ZINC000841100200 618682280 /nfs/dbraw/zinc/68/22/80/618682280.db2.gz GLCRXSABLXJKEM-AWEZNQCLSA-N 2 1 280.368 1.341 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC([NH3+])C1 ZINC000843125042 749996041 /nfs/dbraw/zinc/99/60/41/749996041.db2.gz MAPYNQZHEVGALV-UHFFFAOYSA-N 2 1 293.386 1.584 20 10 CDCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C ZINC000843123643 750018191 /nfs/dbraw/zinc/01/81/91/750018191.db2.gz UCVXPVKFIAVALC-MRXNPFEDSA-N 2 1 289.423 1.489 20 10 CDCDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843048532 753219521 /nfs/dbraw/zinc/21/95/21/753219521.db2.gz FZHMDOACDZRPCK-CQSZACIVSA-N 2 1 293.386 1.443 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CC[C@H]1C[NH3+] ZINC001205601296 923096594 /nfs/dbraw/zinc/09/65/94/923096594.db2.gz DIKIDVIBEOWSHM-AAEUAGOBSA-N 2 1 264.369 1.905 20 10 CDCDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000846226011 931996807 /nfs/dbraw/zinc/99/68/07/931996807.db2.gz WKXRXODWVQCQLF-CQSZACIVSA-N 2 1 277.412 1.673 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CCC[C@H]1C[NH3+] ZINC001206003350 939966279 /nfs/dbraw/zinc/96/62/79/939966279.db2.gz HAUAMIHRQXEEJO-NEPJUHHUSA-N 2 1 264.369 1.905 20 10 CDCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)c(O)cc1O ZINC001276516815 940167234 /nfs/dbraw/zinc/16/72/34/940167234.db2.gz QRCWLNPHGSDYDC-YOGCLGLASA-N 2 1 278.352 1.518 20 10 CDCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001276516815 940167236 /nfs/dbraw/zinc/16/72/36/940167236.db2.gz QRCWLNPHGSDYDC-YOGCLGLASA-N 2 1 278.352 1.518 20 10 CDCDMP Cc1cccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1O ZINC000271757407 364996364 /nfs/dbraw/zinc/99/63/64/364996364.db2.gz CYZGNKLFZQCXBV-UHFFFAOYSA-N 2 1 292.423 1.979 20 10 CDCDMP Cc1cccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1O ZINC000271757407 364996368 /nfs/dbraw/zinc/99/63/68/364996368.db2.gz CYZGNKLFZQCXBV-UHFFFAOYSA-N 2 1 292.423 1.979 20 10 CDCDMP COc1ccc(O)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649068 524753398 /nfs/dbraw/zinc/75/33/98/524753398.db2.gz QTYISILIWBTGKX-GFCCVEGCSA-N 2 1 276.380 1.975 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000904406731 626282954 /nfs/dbraw/zinc/28/29/54/626282954.db2.gz VFXTUPASMMMCFD-LBPRGKRZSA-N 2 1 264.369 1.962 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000817970872 753933934 /nfs/dbraw/zinc/93/39/34/753933934.db2.gz GNAFJKRNKBGUPO-MDZLAQPJSA-N 2 1 292.379 1.970 20 10 CDCDMP C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(F)cc1O ZINC000817984401 754240160 /nfs/dbraw/zinc/24/01/60/754240160.db2.gz XOBDFIJSBSNGAV-ONGXEEELSA-N 2 1 254.305 1.170 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000843113632 756189523 /nfs/dbraw/zinc/18/95/23/756189523.db2.gz ZPOSPSPTMPCZQB-LBPRGKRZSA-N 2 1 294.395 1.970 20 10 CDCDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843056792 757802623 /nfs/dbraw/zinc/80/26/23/757802623.db2.gz AEMIBZTVUVKROJ-GDBMZVCRSA-N 2 1 289.423 1.692 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139256386 936611829 /nfs/dbraw/zinc/61/18/29/936611829.db2.gz ZRNVABHFGGCYEE-INIZCTEOSA-N 2 1 294.395 1.419 20 10 CDCDMP Cc1c(O)ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC001140748014 936749716 /nfs/dbraw/zinc/74/97/16/936749716.db2.gz RFTLOPZRZPDKEO-INIZCTEOSA-N 2 1 276.380 1.934 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC001140748014 936749718 /nfs/dbraw/zinc/74/97/18/936749718.db2.gz RFTLOPZRZPDKEO-INIZCTEOSA-N 2 1 276.380 1.934 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC001140748014 936749720 /nfs/dbraw/zinc/74/97/20/936749720.db2.gz RFTLOPZRZPDKEO-INIZCTEOSA-N 2 1 276.380 1.934 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205829376 925360470 /nfs/dbraw/zinc/36/04/70/925360470.db2.gz OVNFEJFAYQVRQF-GXFFZTMASA-N 2 1 264.369 1.965 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205829376 925360483 /nfs/dbraw/zinc/36/04/83/925360483.db2.gz OVNFEJFAYQVRQF-GXFFZTMASA-N 2 1 264.369 1.965 20 10 CDCDMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(O)cc1O ZINC001206631923 937203128 /nfs/dbraw/zinc/20/31/28/937203128.db2.gz CVXSQPBPVKDQAM-NSHDSACASA-N 2 1 280.368 1.667 20 10 CDCDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112399 931665614 /nfs/dbraw/zinc/66/56/14/931665614.db2.gz DJVSCPWNIPSRKM-INIZCTEOSA-N 2 1 292.379 1.721 20 10 CDCDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112399 931665616 /nfs/dbraw/zinc/66/56/16/931665616.db2.gz DJVSCPWNIPSRKM-INIZCTEOSA-N 2 1 292.379 1.721 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205209708 939835583 /nfs/dbraw/zinc/83/55/83/939835583.db2.gz KNBVMXZPTILHPY-INIZCTEOSA-N 2 1 277.412 1.428 20 10 CDCDMP [NH3+]C[C@@H]1CN(Cc2cccc(F)c2[O-])CCC1(F)F ZINC001205763536 939933563 /nfs/dbraw/zinc/93/35/63/939933563.db2.gz QSQLGORDXHBIBQ-SNVBAGLBSA-N 2 1 274.286 1.947 20 10 CDCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001206633386 940074877 /nfs/dbraw/zinc/07/48/77/940074877.db2.gz XGIRLQDEUTWQRX-JTQLQIEISA-N 2 1 266.341 1.364 20 10 CDCDMP C[N@@H+](Cc1ccccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000749297038 574534563 /nfs/dbraw/zinc/53/45/63/574534563.db2.gz JVJORLPSKRAJFQ-AWEZNQCLSA-N 2 1 264.369 1.281 20 10 CDCDMP C[N@H+](Cc1ccccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000749297038 574534564 /nfs/dbraw/zinc/53/45/64/574534564.db2.gz JVJORLPSKRAJFQ-AWEZNQCLSA-N 2 1 264.369 1.281 20 10 CDCDMP C[NH2+]CCC[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001578687429 1171981562 /nfs/dbraw/zinc/98/15/62/1171981562.db2.gz OIWQDTCTEHGSNJ-UHFFFAOYSA-N 2 1 252.358 1.751 20 10 CDCDMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125046 758865183 /nfs/dbraw/zinc/86/51/83/758865183.db2.gz MCWHSQYXBDDVDA-OAHLLOKOSA-N 2 1 290.407 1.888 20 10 CDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000843052987 771431797 /nfs/dbraw/zinc/43/17/97/771431797.db2.gz RZWXIQHFXOCDDE-NSHDSACASA-N 2 1 250.342 1.442 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000300434929 772959166 /nfs/dbraw/zinc/95/91/66/772959166.db2.gz BGWJHDNBAUKQKF-ZYHUDNBSSA-N 2 1 252.333 1.948 20 10 CDCDMP COc1cc(O)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000775748392 773026482 /nfs/dbraw/zinc/02/64/82/773026482.db2.gz XZWHXOWRUOAIKC-VXGBXAGGSA-N 2 1 278.352 1.061 20 10 CDCDMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1O ZINC000717355558 773560729 /nfs/dbraw/zinc/56/07/29/773560729.db2.gz VJEZKOXBXKKGOW-YPMHNXCESA-N 2 1 252.358 1.355 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000708834650 773690115 /nfs/dbraw/zinc/69/01/15/773690115.db2.gz GTAODPUFOXUVQT-CMPLNLGQSA-N 2 1 250.342 1.427 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CCC[C@@H]1C[NH3+] ZINC001206003351 939966180 /nfs/dbraw/zinc/96/61/80/939966180.db2.gz HAUAMIHRQXEEJO-NWDGAFQWSA-N 2 1 264.369 1.905 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001206512622 940051950 /nfs/dbraw/zinc/05/19/50/940051950.db2.gz RJTXOGYUTMHNOW-HOCLYGCPSA-N 2 1 275.396 1.038 20 10 CDCDMP CC(C)(C)c1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206524934 940054577 /nfs/dbraw/zinc/05/45/77/940054577.db2.gz BEGFVPXPXZDQLU-JSGCOSHPSA-N 2 1 278.396 1.441 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206624840 940073626 /nfs/dbraw/zinc/07/36/26/940073626.db2.gz YWQXYRXOPMUEQL-LBPRGKRZSA-N 2 1 294.395 1.970 20 10 CDCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@H]2CC1 ZINC001276831093 941614831 /nfs/dbraw/zinc/61/48/31/941614831.db2.gz ZZJPTOSJJZCUEV-BETUJISGSA-N 2 1 292.379 1.577 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]2CC1 ZINC001276831093 941614832 /nfs/dbraw/zinc/61/48/32/941614832.db2.gz ZZJPTOSJJZCUEV-BETUJISGSA-N 2 1 292.379 1.577 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]2CC1 ZINC001276831093 941614833 /nfs/dbraw/zinc/61/48/33/941614833.db2.gz ZZJPTOSJJZCUEV-BETUJISGSA-N 2 1 292.379 1.577 20 10 CDCDMP CC[NH+]1CCN(c2ccc(O[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC001234657799 943929948 /nfs/dbraw/zinc/92/99/48/943929948.db2.gz IQGPRDASLHLZRY-QGZVFWFLSA-N 2 1 289.423 1.911 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1O ZINC001236320195 944468086 /nfs/dbraw/zinc/46/80/86/944468086.db2.gz LKRCZFOWDOELRM-BETUJISGSA-N 2 1 276.380 1.838 20 10 CDCDMP Oc1cc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237410297 944762908 /nfs/dbraw/zinc/76/29/08/944762908.db2.gz COEQQRICMAMGFM-PWSUYJOCSA-N 2 1 278.352 1.377 20 10 CDCDMP Oc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237410297 944762911 /nfs/dbraw/zinc/76/29/11/944762911.db2.gz COEQQRICMAMGFM-PWSUYJOCSA-N 2 1 278.352 1.377 20 10 CDCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000762790202 576672534 /nfs/dbraw/zinc/67/25/34/576672534.db2.gz YJJWXLFGLTYPOQ-YOEHRIQHSA-N 2 1 291.439 1.860 20 10 CDCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762790202 576672537 /nfs/dbraw/zinc/67/25/37/576672537.db2.gz YJJWXLFGLTYPOQ-YOEHRIQHSA-N 2 1 291.439 1.860 20 10 CDCDMP CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000841072264 618681571 /nfs/dbraw/zinc/68/15/71/618681571.db2.gz MXYAVCYNQNRSQT-JTQLQIEISA-N 2 1 258.749 1.881 20 10 CDCDMP CCO[C@@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)C[C@H]1C[NH3+] ZINC001578157814 1171820578 /nfs/dbraw/zinc/82/05/78/1171820578.db2.gz XZCIUSWRWDLQJG-UKRRQHHQSA-N 2 1 294.395 1.505 20 10 CDCDMP C[NH2+]C[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000853249574 773805295 /nfs/dbraw/zinc/80/52/95/773805295.db2.gz RJYHVZJJPLJQQJ-ZDUSSCGKSA-N 2 1 277.412 1.862 20 10 CDCDMP C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C1C[NH2+]C1 ZINC000925764347 774054266 /nfs/dbraw/zinc/05/42/66/774054266.db2.gz YNKVQDYFTBNNTE-CQSZACIVSA-N 2 1 288.439 1.136 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC(C)(C)[NH3+])c1 ZINC000925737458 774478984 /nfs/dbraw/zinc/47/89/84/774478984.db2.gz IWDFTRWWGOWOCO-JTQLQIEISA-N 2 1 280.368 1.957 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000131457268 774586030 /nfs/dbraw/zinc/58/60/30/774586030.db2.gz WXSGRLGZVMKQLB-PWSUYJOCSA-N 2 1 250.342 1.712 20 10 CDCDMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(O)c1 ZINC000843047876 775577604 /nfs/dbraw/zinc/57/76/04/775577604.db2.gz ZSUCTHKZZMTIOS-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP Cc1cc(O)c(C[N@@H+](C)CCOCC[NH3+])cc1C ZINC000863652587 775953870 /nfs/dbraw/zinc/95/38/70/775953870.db2.gz SKQCJWIORQEYTQ-UHFFFAOYSA-N 2 1 252.358 1.416 20 10 CDCDMP Cc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c(O)c1 ZINC000876736427 776301653 /nfs/dbraw/zinc/30/16/53/776301653.db2.gz LADUERHMDFICAD-UHFFFAOYSA-N 2 1 292.423 1.979 20 10 CDCDMP Cc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(O)c1 ZINC000876736427 776301661 /nfs/dbraw/zinc/30/16/61/776301661.db2.gz LADUERHMDFICAD-UHFFFAOYSA-N 2 1 292.423 1.979 20 10 CDCDMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841029230 778069988 /nfs/dbraw/zinc/06/99/88/778069988.db2.gz MVKZDSKSPMRWFS-LLVKDONJSA-N 2 1 266.341 1.728 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206154118 911174030 /nfs/dbraw/zinc/17/40/30/911174030.db2.gz GPCGTHHEVSKCIN-NWDGAFQWSA-N 2 1 268.332 1.662 20 10 CDCDMP COc1cc(C[N@@H+](C)CC2COC2)cc(C[NH+](C)C)c1O ZINC001139258797 936611797 /nfs/dbraw/zinc/61/17/97/936611797.db2.gz WNBFEZCEXCLSLJ-UHFFFAOYSA-N 2 1 294.395 1.541 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001203937746 939715080 /nfs/dbraw/zinc/71/50/80/939715080.db2.gz PAIMKJZYELREMV-UHFFFAOYSA-N 2 1 290.455 1.432 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206173316 939990636 /nfs/dbraw/zinc/99/06/36/939990636.db2.gz GXPIEOQAHQUWMS-STQMWFEESA-N 2 1 252.333 1.962 20 10 CDCDMP CCc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222104857 941565642 /nfs/dbraw/zinc/56/56/42/941565642.db2.gz OEXGMTVDCTVRNW-UHFFFAOYSA-N 2 1 289.423 1.482 20 10 CDCDMP CN1CCC([N@@H+](C)Cc2cc(O)c(O)cc2O)CC1 ZINC001233482188 943591578 /nfs/dbraw/zinc/59/15/78/943591578.db2.gz DGNDQPNTUXBIOH-UHFFFAOYSA-N 2 1 266.341 1.329 20 10 CDCDMP Oc1ccc2ccccc2c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234986572 943997210 /nfs/dbraw/zinc/99/72/10/943997210.db2.gz DSGJCXASURGWMK-GOSISDBHSA-N 2 1 297.402 1.683 20 10 CDCDMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001254509268 947467393 /nfs/dbraw/zinc/46/73/93/947467393.db2.gz XSKHTXRINXGMRE-LBPRGKRZSA-N 2 1 250.342 1.672 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000769403914 576352131 /nfs/dbraw/zinc/35/21/31/576352131.db2.gz JSKDVANNAIHODQ-GFCCVEGCSA-N 2 1 264.369 1.784 20 10 CDCDMP CCOc1ccc(O)c(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000841101198 618682993 /nfs/dbraw/zinc/68/29/93/618682993.db2.gz RMAHHCZQDWEEJN-CQSZACIVSA-N 2 1 280.368 1.341 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000841101198 618682996 /nfs/dbraw/zinc/68/29/96/618682996.db2.gz RMAHHCZQDWEEJN-CQSZACIVSA-N 2 1 280.368 1.341 20 10 CDCDMP COc1ccc(N2CCC([NH2+]CC3([NH3+])CC3)CC2)cc1 ZINC000902415876 624776746 /nfs/dbraw/zinc/77/67/46/624776746.db2.gz LPZIJTMUMXMING-UHFFFAOYSA-N 2 1 275.396 1.745 20 10 CDCDMP C[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000817942817 782725989 /nfs/dbraw/zinc/72/59/89/782725989.db2.gz RBLOPVPVWIDRSI-UNEWFSDZSA-N 2 1 290.455 1.825 20 10 CDCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(F)ccc1O ZINC000702652930 783075133 /nfs/dbraw/zinc/07/51/33/783075133.db2.gz NRBAWTWARJNHQE-IINYFYTJSA-N 2 1 268.332 1.249 20 10 CDCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(F)ccc1O ZINC000702652930 783075141 /nfs/dbraw/zinc/07/51/41/783075141.db2.gz NRBAWTWARJNHQE-IINYFYTJSA-N 2 1 268.332 1.249 20 10 CDCDMP O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C[NH+]1CCCC1 ZINC000921586071 781243481 /nfs/dbraw/zinc/24/34/81/781243481.db2.gz IFHXGMKPLDJPPJ-MRXNPFEDSA-N 2 1 290.407 1.558 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000070171745 917200267 /nfs/dbraw/zinc/20/02/67/917200267.db2.gz FXMVBDOIIDMCQB-RYUDHWBXSA-N 2 1 264.369 1.960 20 10 CDCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206530701 918009194 /nfs/dbraw/zinc/00/91/94/918009194.db2.gz PPBCTHIWDNDZSX-WFASDCNBSA-N 2 1 278.396 1.441 20 10 CDCDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)ccc1O ZINC001140058528 936674893 /nfs/dbraw/zinc/67/48/93/936674893.db2.gz FVTWAIVHPFWVCG-UHFFFAOYSA-N 2 1 281.375 1.211 20 10 CDCDMP Cc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205688325 924477668 /nfs/dbraw/zinc/47/76/68/924477668.db2.gz FUSRVBXWCXXUEZ-HNNXBMFYSA-N 2 1 264.369 1.376 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC001205967223 929819948 /nfs/dbraw/zinc/81/99/48/929819948.db2.gz LGXPAPMHWHGLLH-HUUCEWRRSA-N 2 1 272.348 1.439 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)CC[C@H]1C[NH3+] ZINC001205601408 939907679 /nfs/dbraw/zinc/90/76/79/939907679.db2.gz FGCPVSZWTVNQTE-NEPJUHHUSA-N 2 1 264.369 1.905 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1OC ZINC001206200118 939997212 /nfs/dbraw/zinc/99/72/12/939997212.db2.gz QIOPPGWQUWIHJQ-NEPJUHHUSA-N 2 1 298.358 1.671 20 10 CDCDMP Oc1ccc(Cl)cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222086220 941561587 /nfs/dbraw/zinc/56/15/87/941561587.db2.gz TXPVPRZHDCWTDS-UHFFFAOYSA-N 2 1 295.814 1.573 20 10 CDCDMP COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235998306 944366375 /nfs/dbraw/zinc/36/63/75/944366375.db2.gz YCHZSCNTASTYKX-XJKSGUPXSA-N 2 1 290.363 1.031 20 10 CDCDMP COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235998306 944366382 /nfs/dbraw/zinc/36/63/82/944366382.db2.gz YCHZSCNTASTYKX-XJKSGUPXSA-N 2 1 290.363 1.031 20 10 CDCDMP c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC001261370409 946078227 /nfs/dbraw/zinc/07/82/27/946078227.db2.gz IONXHDGJSFMCNX-KRWDZBQOSA-N 2 1 289.423 1.755 20 10 CDCDMP CCN(CC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331846866 957297737 /nfs/dbraw/zinc/29/77/37/957297737.db2.gz IXWWRCIYTLAYMB-UHFFFAOYSA-N 2 1 294.418 1.358 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[NH3+])c1 ZINC001345481638 964721784 /nfs/dbraw/zinc/72/17/84/964721784.db2.gz FNIBYDMLYLZFCG-JTQLQIEISA-N 2 1 266.341 1.568 20 10 CDCDMP C[NH+]1CCC([N@H+](CCO)Cc2ccc(N)cc2)CC1 ZINC001352787718 967478702 /nfs/dbraw/zinc/47/87/02/967478702.db2.gz IJOVIVUJOBJLNA-UHFFFAOYSA-N 2 1 263.385 1.157 20 10 CDCDMP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(N)cc2)CC1 ZINC001352787718 967478706 /nfs/dbraw/zinc/47/87/06/967478706.db2.gz IJOVIVUJOBJLNA-UHFFFAOYSA-N 2 1 263.385 1.157 20 10 CDCDMP COc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000271824758 348461442 /nfs/dbraw/zinc/46/14/42/348461442.db2.gz NQVZTEYTYXQCQF-UHFFFAOYSA-N 2 1 262.353 1.752 20 10 CDCDMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872106 299314811 /nfs/dbraw/zinc/31/48/11/299314811.db2.gz VKPDAWULDYRDIF-YOEHRIQHSA-N 2 1 291.439 1.860 20 10 CDCDMP Cc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000252762919 334391089 /nfs/dbraw/zinc/39/10/89/334391089.db2.gz ZIMBLQLNGZYLDE-GJZGRUSLSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000252762919 334391090 /nfs/dbraw/zinc/39/10/90/334391090.db2.gz ZIMBLQLNGZYLDE-GJZGRUSLSA-N 2 1 276.380 1.653 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000843057188 618691087 /nfs/dbraw/zinc/69/10/87/618691087.db2.gz GMMRDZCNQKGAGY-MNOVXSKESA-N 2 1 280.368 1.579 20 10 CDCDMP COc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000843057855 618691919 /nfs/dbraw/zinc/69/19/19/618691919.db2.gz MNFMNHSFAJHDEH-QWRGUYRKSA-N 2 1 280.368 1.579 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000873252463 1165531360 /nfs/dbraw/zinc/53/13/60/1165531360.db2.gz SESVYALTGJQADY-FOGDFJRCSA-N 2 1 278.352 1.567 20 10 CDCDMP COc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146155 914180702 /nfs/dbraw/zinc/18/07/02/914180702.db2.gz QSTCSDWCHWYNLL-GXTWGEPZSA-N 2 1 277.412 1.788 20 10 CDCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001205273599 918512644 /nfs/dbraw/zinc/51/26/44/918512644.db2.gz MMNJMTKZAQDAQC-AWEZNQCLSA-N 2 1 250.342 1.801 20 10 CDCDMP Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205228931 919218087 /nfs/dbraw/zinc/21/80/87/919218087.db2.gz KICJYOSHDAGAAZ-OAHLLOKOSA-N 2 1 264.369 1.376 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000843050996 919350483 /nfs/dbraw/zinc/35/04/83/919350483.db2.gz CXMNJHCDDMFUPZ-ZYHUDNBSSA-N 2 1 280.368 1.579 20 10 CDCDMP COc1cc(C[N@H+](C)C2(C)COC2)cc(C[NH+](C)C)c1O ZINC001139258809 936611896 /nfs/dbraw/zinc/61/18/96/936611896.db2.gz WZOMCTRDCJXSHS-UHFFFAOYSA-N 2 1 294.395 1.683 20 10 CDCDMP COc1cc(C[N@@H+](C)C2(C)COC2)cc(C[NH+](C)C)c1O ZINC001139258809 936611897 /nfs/dbraw/zinc/61/18/97/936611897.db2.gz WZOMCTRDCJXSHS-UHFFFAOYSA-N 2 1 294.395 1.683 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001139404715 936617995 /nfs/dbraw/zinc/61/79/95/936617995.db2.gz XNKHIBCPOZTPPR-MRXNPFEDSA-N 2 1 275.396 1.005 20 10 CDCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001205683459 924437589 /nfs/dbraw/zinc/43/75/89/924437589.db2.gz ZGVPGVBQEHUANG-AWEZNQCLSA-N 2 1 284.787 1.721 20 10 CDCDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841028147 936972226 /nfs/dbraw/zinc/97/22/26/936972226.db2.gz BQYJRHTYKGVMMO-JTQLQIEISA-N 2 1 252.314 1.194 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841086411 936975549 /nfs/dbraw/zinc/97/55/49/936975549.db2.gz NLIWYZXNQGXHNI-MRXNPFEDSA-N 2 1 277.412 1.529 20 10 CDCDMP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817944633 930641909 /nfs/dbraw/zinc/64/19/09/930641909.db2.gz IPGBIGCESCJBHD-CQSZACIVSA-N 2 1 281.375 1.477 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000253184040 935095325 /nfs/dbraw/zinc/09/53/25/935095325.db2.gz HBBXTSLMFPTHAG-DGCLKSJQSA-N 2 1 264.369 1.818 20 10 CDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)cc3O)C[C@@H]2C1 ZINC001203635344 939699101 /nfs/dbraw/zinc/69/91/01/939699101.db2.gz QEOZTHUJMFHSAG-OKILXGFUSA-N 2 1 276.380 1.784 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC)cc3O)C[C@@H]2C1 ZINC001203635344 939699102 /nfs/dbraw/zinc/69/91/02/939699102.db2.gz QEOZTHUJMFHSAG-OKILXGFUSA-N 2 1 276.380 1.784 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC)cc3O)C[C@@H]2C1 ZINC001203635344 939699105 /nfs/dbraw/zinc/69/91/05/939699105.db2.gz QEOZTHUJMFHSAG-OKILXGFUSA-N 2 1 276.380 1.784 20 10 CDCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001210500014 940694922 /nfs/dbraw/zinc/69/49/22/940694922.db2.gz YUZIMACKXVWBEW-OAHLLOKOSA-N 3 1 288.439 1.280 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001210500014 940694923 /nfs/dbraw/zinc/69/49/23/940694923.db2.gz YUZIMACKXVWBEW-OAHLLOKOSA-N 3 1 288.439 1.280 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC3)c(F)c2)CC1 ZINC001236932519 944618092 /nfs/dbraw/zinc/61/80/92/944618092.db2.gz QSEMTYHMGTWGAF-UHFFFAOYSA-N 2 1 263.360 1.783 20 10 CDCDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000078638619 260168279 /nfs/dbraw/zinc/16/82/79/260168279.db2.gz MNKSUBBOFJJVEM-HUUCEWRRSA-N 2 1 276.380 1.653 20 10 CDCDMP CCOc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420937 626294778 /nfs/dbraw/zinc/29/47/78/626294778.db2.gz JHAMTGHHDRZCHO-GXTWGEPZSA-N 2 1 276.380 1.832 20 10 CDCDMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C)cc1O ZINC000794811681 1164610477 /nfs/dbraw/zinc/61/04/77/1164610477.db2.gz XWCBFVLPBUYHAS-GXTWGEPZSA-N 2 1 266.385 1.664 20 10 CDCDMP C[NH+](C)CCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000211460255 1166476910 /nfs/dbraw/zinc/47/69/10/1166476910.db2.gz LSCGJLIWXRBBIE-UHFFFAOYSA-N 2 1 266.341 1.504 20 10 CDCDMP C[NH+](C)CCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000211460255 1166476915 /nfs/dbraw/zinc/47/69/15/1166476915.db2.gz LSCGJLIWXRBBIE-UHFFFAOYSA-N 2 1 266.341 1.504 20 10 CDCDMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000702641463 784532829 /nfs/dbraw/zinc/53/28/29/784532829.db2.gz MMMZQYKSBOEZEQ-HNNXBMFYSA-N 2 1 264.369 1.160 20 10 CDCDMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000702641463 784532844 /nfs/dbraw/zinc/53/28/44/784532844.db2.gz MMMZQYKSBOEZEQ-HNNXBMFYSA-N 2 1 264.369 1.160 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000877022715 786074218 /nfs/dbraw/zinc/07/42/18/786074218.db2.gz QPNZZALTXCWWNW-KGLIPLIRSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000877022715 786074224 /nfs/dbraw/zinc/07/42/24/786074224.db2.gz QPNZZALTXCWWNW-KGLIPLIRSA-N 2 1 276.380 1.653 20 10 CDCDMP Oc1cc2c(cc1C[N@H+]1CCC3(C1)CC[NH2+]CC3)OCO2 ZINC000843120205 787357320 /nfs/dbraw/zinc/35/73/20/787357320.db2.gz WPPGHTSOYYBWBM-UHFFFAOYSA-N 2 1 290.363 1.696 20 10 CDCDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000042880361 787889626 /nfs/dbraw/zinc/88/96/26/787889626.db2.gz FTDKWEPVOMNWHK-LBPRGKRZSA-N 2 1 292.379 1.941 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000131530104 788873892 /nfs/dbraw/zinc/87/38/92/788873892.db2.gz IPHRYQWKUFXVGB-CMPLNLGQSA-N 2 1 250.342 1.712 20 10 CDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205109516 913675789 /nfs/dbraw/zinc/67/57/89/913675789.db2.gz HIUFZVFVSJHZTR-MRXNPFEDSA-N 3 1 288.439 1.409 20 10 CDCDMP Cc1c(O)ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC001140749001 898171900 /nfs/dbraw/zinc/17/19/00/898171900.db2.gz NPAHYAAPVPWDKM-BETUJISGSA-N 2 1 262.353 1.400 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC001140749001 898171909 /nfs/dbraw/zinc/17/19/09/898171909.db2.gz NPAHYAAPVPWDKM-BETUJISGSA-N 2 1 262.353 1.400 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC001140749001 898171922 /nfs/dbraw/zinc/17/19/22/898171922.db2.gz NPAHYAAPVPWDKM-BETUJISGSA-N 2 1 262.353 1.400 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1F ZINC001206173663 911842584 /nfs/dbraw/zinc/84/25/84/911842584.db2.gz JIRIGVLTIJVOFQ-RYUDHWBXSA-N 2 1 256.296 1.793 20 10 CDCDMP Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205680827 924397225 /nfs/dbraw/zinc/39/72/25/924397225.db2.gz BPXMAPXJGHUYTN-OAHLLOKOSA-N 2 1 264.369 1.376 20 10 CDCDMP Cc1cc(F)cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205726516 924738039 /nfs/dbraw/zinc/73/80/39/924738039.db2.gz UBZCNUILHOHDMQ-HNNXBMFYSA-N 2 1 282.359 1.515 20 10 CDCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001205289614 939877626 /nfs/dbraw/zinc/87/76/26/939877626.db2.gz ZQEBTOLEAMLXNR-CQSZACIVSA-N 2 1 266.341 1.507 20 10 CDCDMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001205953176 939959863 /nfs/dbraw/zinc/95/98/63/939959863.db2.gz MLGBLGHHVFOTEA-QZTJIDSGSA-N 2 1 299.418 1.988 20 10 CDCDMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001205953176 939959865 /nfs/dbraw/zinc/95/98/65/939959865.db2.gz MLGBLGHHVFOTEA-QZTJIDSGSA-N 2 1 299.418 1.988 20 10 CDCDMP Cc1cc(F)cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222105050 941565886 /nfs/dbraw/zinc/56/58/86/941565886.db2.gz SJLVIIDLJOENLG-UHFFFAOYSA-N 2 1 293.386 1.367 20 10 CDCDMP Cc1cc(C)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235997102 944364512 /nfs/dbraw/zinc/36/45/12/944364512.db2.gz FHLQREJQDFHXOC-OCZCAGDBSA-N 2 1 276.380 1.415 20 10 CDCDMP Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237383890 944740843 /nfs/dbraw/zinc/74/08/43/944740843.db2.gz SDQROWGRQZGRNL-RISCZKNCSA-N 2 1 262.353 1.672 20 10 CDCDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc4c(cc3O)OCO4)C[C@@H]2C1 ZINC000194541881 391361960 /nfs/dbraw/zinc/36/19/60/391361960.db2.gz VLNFZYZSZZWDSG-TXEJJXNPSA-N 2 1 276.336 1.114 20 10 CDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc4c(cc3O)OCO4)C[C@@H]2C1 ZINC000194541881 391361963 /nfs/dbraw/zinc/36/19/63/391361963.db2.gz VLNFZYZSZZWDSG-TXEJJXNPSA-N 2 1 276.336 1.114 20 10 CDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]2C1 ZINC000194541881 391361966 /nfs/dbraw/zinc/36/19/66/391361966.db2.gz VLNFZYZSZZWDSG-TXEJJXNPSA-N 2 1 276.336 1.114 20 10 CDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]2C1 ZINC000194541881 391361969 /nfs/dbraw/zinc/36/19/69/391361969.db2.gz VLNFZYZSZZWDSG-TXEJJXNPSA-N 2 1 276.336 1.114 20 10 CDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841070341 618681787 /nfs/dbraw/zinc/68/17/87/618681787.db2.gz PPHOVEUQFQLSHW-CQSZACIVSA-N 2 1 263.385 1.350 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000877022716 1165959746 /nfs/dbraw/zinc/95/97/46/1165959746.db2.gz QPNZZALTXCWWNW-UONOGXRCSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000877022716 1165959751 /nfs/dbraw/zinc/95/97/51/1165959751.db2.gz QPNZZALTXCWWNW-UONOGXRCSA-N 2 1 276.380 1.653 20 10 CDCDMP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817944632 789894062 /nfs/dbraw/zinc/89/40/62/789894062.db2.gz IPGBIGCESCJBHD-AWEZNQCLSA-N 2 1 281.375 1.477 20 10 CDCDMP CN(C)c1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000381306124 789978952 /nfs/dbraw/zinc/97/89/52/789978952.db2.gz OITSLYAJKJYMNF-XSIBGMEISA-N 2 1 271.408 1.839 20 10 CDCDMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843052930 790086913 /nfs/dbraw/zinc/08/69/13/790086913.db2.gz PCJILNSGNGNINW-SNVBAGLBSA-N 2 1 264.325 1.162 20 10 CDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843052930 790086918 /nfs/dbraw/zinc/08/69/18/790086918.db2.gz PCJILNSGNGNINW-SNVBAGLBSA-N 2 1 264.325 1.162 20 10 CDCDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@H]21 ZINC000843059901 791157458 /nfs/dbraw/zinc/15/74/58/791157458.db2.gz UGDAGKSQQOVDGJ-CYZMBNFOSA-N 2 1 290.363 1.680 20 10 CDCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843051074 791310677 /nfs/dbraw/zinc/31/06/77/791310677.db2.gz DHWMANPGQLNWPL-GHMZBOCLSA-N 2 1 278.352 1.680 20 10 CDCDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843047175 793161113 /nfs/dbraw/zinc/16/11/13/793161113.db2.gz HZBXJHPIGOTYHV-SNVBAGLBSA-N 2 1 264.325 1.292 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1O ZINC000311701301 793363364 /nfs/dbraw/zinc/36/33/64/793363364.db2.gz MAJHWMPXYDRVRI-DGCLKSJQSA-N 2 1 262.353 1.585 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000380350854 793402979 /nfs/dbraw/zinc/40/29/79/793402979.db2.gz LCFUZCYFMVCYKV-MRXNPFEDSA-N 2 1 276.380 1.976 20 10 CDCDMP Oc1cccc(Cl)c1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000380222907 793416768 /nfs/dbraw/zinc/41/67/68/793416768.db2.gz JPRQCSCOERBGMC-GFCCVEGCSA-N 2 1 295.814 1.525 20 10 CDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)CO ZINC000816654037 793809359 /nfs/dbraw/zinc/80/93/59/793809359.db2.gz RKOFILVKLZMPQM-HNNXBMFYSA-N 2 1 291.439 1.641 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1[NH3+] ZINC000843053205 794075895 /nfs/dbraw/zinc/07/58/95/794075895.db2.gz ZGYXZUBKGSYPPR-GXSJLCMTSA-N 2 1 264.325 1.290 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])c1 ZINC000817977377 794197640 /nfs/dbraw/zinc/19/76/40/794197640.db2.gz JBNBVKFWWOPKQQ-GHMZBOCLSA-N 2 1 280.368 1.957 20 10 CDCDMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC12CCOCC2 ZINC000843124406 795032794 /nfs/dbraw/zinc/03/27/94/795032794.db2.gz AJLNRKVBUNQHLY-CYBMUJFWSA-N 2 1 294.370 1.719 20 10 CDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC12CCOCC2 ZINC000843124406 795032801 /nfs/dbraw/zinc/03/28/01/795032801.db2.gz AJLNRKVBUNQHLY-CYBMUJFWSA-N 2 1 294.370 1.719 20 10 CDCDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843115105 795820274 /nfs/dbraw/zinc/82/02/74/795820274.db2.gz GURSAZSUOSNQBI-KRWDZBQOSA-N 2 1 289.423 1.694 20 10 CDCDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052933 796329554 /nfs/dbraw/zinc/32/95/54/796329554.db2.gz PEQVHNOEALUBCY-ZDUSSCGKSA-N 2 1 265.376 1.933 20 10 CDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052933 796329562 /nfs/dbraw/zinc/32/95/62/796329562.db2.gz PEQVHNOEALUBCY-ZDUSSCGKSA-N 2 1 265.376 1.933 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205762110 924833436 /nfs/dbraw/zinc/83/34/36/924833436.db2.gz KCGMXAMXAJUYIH-NSHDSACASA-N 2 1 286.322 1.817 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205762110 924833444 /nfs/dbraw/zinc/83/34/44/924833444.db2.gz KCGMXAMXAJUYIH-NSHDSACASA-N 2 1 286.322 1.817 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(O)cc1O ZINC001205570791 939904585 /nfs/dbraw/zinc/90/45/85/939904585.db2.gz PBPJCZPLEKPWBH-OAHLLOKOSA-N 2 1 298.358 1.759 20 10 CDCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccccc2O)C1 ZINC001205665940 939914639 /nfs/dbraw/zinc/91/46/39/939914639.db2.gz XSYMIIAHHJTZPB-CQSZACIVSA-N 2 1 250.342 1.068 20 10 CDCDMP Cc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)ccc1N(C)C ZINC001205681763 939918510 /nfs/dbraw/zinc/91/85/10/939918510.db2.gz NMOGEHVLSYASAZ-QGZVFWFLSA-N 2 1 291.439 1.737 20 10 CDCDMP CC(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206535300 940056690 /nfs/dbraw/zinc/05/66/90/940056690.db2.gz IVKGARXOZHSQRI-ZFWWWQNUSA-N 2 1 264.369 1.267 20 10 CDCDMP COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235998303 944366208 /nfs/dbraw/zinc/36/62/08/944366208.db2.gz YCHZSCNTASTYKX-CZUORRHYSA-N 2 1 290.363 1.031 20 10 CDCDMP COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235998303 944366210 /nfs/dbraw/zinc/36/62/10/944366210.db2.gz YCHZSCNTASTYKX-CZUORRHYSA-N 2 1 290.363 1.031 20 10 CDCDMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001253214991 951816422 /nfs/dbraw/zinc/81/64/22/951816422.db2.gz UUGJIILIVUYARP-AWEZNQCLSA-N 2 1 266.385 1.493 20 10 CDCDMP Nc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC001352788522 967482111 /nfs/dbraw/zinc/48/21/11/967482111.db2.gz FHLWWVYXNLZJCV-OAHLLOKOSA-N 2 1 290.411 1.088 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000273445953 365496813 /nfs/dbraw/zinc/49/68/13/365496813.db2.gz ZTJGYZUKVCLJPM-WCQYABFASA-N 2 1 292.379 1.924 20 10 CDCDMP COc1ccc(N2CCC([NH2+][C@@H](C)C[NH3+])CC2)cc1 ZINC000841066891 618680116 /nfs/dbraw/zinc/68/01/16/618680116.db2.gz RAMYIYWFMODXJR-LBPRGKRZSA-N 2 1 263.385 1.601 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894376279 618833245 /nfs/dbraw/zinc/83/32/45/618833245.db2.gz RHZAGEHWBZEHDR-UHFFFAOYSA-N 2 1 291.439 1.818 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000841100266 630581788 /nfs/dbraw/zinc/58/17/88/630581788.db2.gz AEBCGSXZAGFICV-RYUDHWBXSA-N 2 1 264.369 1.818 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000843127823 796635126 /nfs/dbraw/zinc/63/51/26/796635126.db2.gz TXVPBGCZLMFSBW-WFASDCNBSA-N 2 1 276.380 1.975 20 10 CDCDMP COc1ccc(N2CC[NH+](CCC[NH3+])CC2)cc1F ZINC000082573847 796844530 /nfs/dbraw/zinc/84/45/30/796844530.db2.gz KAKJRZCWYLUHGZ-UHFFFAOYSA-N 2 1 267.348 1.305 20 10 CDCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206512663 917870669 /nfs/dbraw/zinc/87/06/69/917870669.db2.gz SYSGANDNVFGFDW-HOCLYGCPSA-N 2 1 277.412 1.284 20 10 CDCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000702638382 922579411 /nfs/dbraw/zinc/57/94/11/922579411.db2.gz YGSQJPZWHCTZDJ-DOMZBBRYSA-N 2 1 264.369 1.418 20 10 CDCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000702638382 922579420 /nfs/dbraw/zinc/57/94/20/922579420.db2.gz YGSQJPZWHCTZDJ-DOMZBBRYSA-N 2 1 264.369 1.418 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(O)c1 ZINC000843126288 937114784 /nfs/dbraw/zinc/11/47/84/937114784.db2.gz HUHPEXPCRMPPEG-DOMZBBRYSA-N 2 1 276.380 1.975 20 10 CDCDMP CCC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1O ZINC000843358528 937142422 /nfs/dbraw/zinc/14/24/22/937142422.db2.gz VJARVNAHRTVNGR-UHFFFAOYSA-N 2 1 277.412 1.509 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000131530557 930184045 /nfs/dbraw/zinc/18/40/45/930184045.db2.gz IPHRYQWKUFXVGB-JQWIXIFHSA-N 2 1 250.342 1.712 20 10 CDCDMP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000817898799 930621788 /nfs/dbraw/zinc/62/17/88/930621788.db2.gz BGOIVNVAAANTTP-CHWSQXEVSA-N 2 1 251.349 1.861 20 10 CDCDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817894916 930621858 /nfs/dbraw/zinc/62/18/58/930621858.db2.gz OWCDFCOVHGJGKK-JKSUJKDBSA-N 2 1 275.396 1.493 20 10 CDCDMP C[C@H]([NH2+]CCc1ccc(N)cc1)c1c[nH+]ccc1N ZINC000817957073 930644727 /nfs/dbraw/zinc/64/47/27/930644727.db2.gz IHHATKFPBDVEFD-NSHDSACASA-N 2 1 256.353 1.970 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000846704190 932116861 /nfs/dbraw/zinc/11/68/61/932116861.db2.gz SEBVHONTJIRYEI-PWSUYJOCSA-N 2 1 280.368 1.721 20 10 CDCDMP COc1cccc(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1O ZINC001203599177 939695554 /nfs/dbraw/zinc/69/55/54/939695554.db2.gz BPGZBVJTSVMCSF-GXTWGEPZSA-N 2 1 276.380 1.927 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001205229852 939839813 /nfs/dbraw/zinc/83/98/13/939839813.db2.gz PVDXTSQQKVPGJF-CQSZACIVSA-N 2 1 284.787 1.721 20 10 CDCDMP [NH3+]C[C@H]1CN(Cc2cccc(F)c2[O-])CCC1(F)F ZINC001205763532 939933231 /nfs/dbraw/zinc/93/32/31/939933231.db2.gz QSQLGORDXHBIBQ-JTQLQIEISA-N 2 1 274.286 1.947 20 10 CDCDMP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205972759 939961887 /nfs/dbraw/zinc/96/18/87/939961887.db2.gz ARVOESOFKOROFF-UKRRQHHQSA-N 2 1 264.369 1.410 20 10 CDCDMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206183063 939993174 /nfs/dbraw/zinc/99/31/74/939993174.db2.gz FETYTILFGQIPHI-CHWSQXEVSA-N 2 1 252.333 1.962 20 10 CDCDMP CC(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001236000210 944368668 /nfs/dbraw/zinc/36/86/68/944368668.db2.gz RYUUKARCPSGZDX-FKEKPDDDSA-N 2 1 290.407 1.921 20 10 CDCDMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC001253208402 951804807 /nfs/dbraw/zinc/80/48/07/951804807.db2.gz PIBAGWGMDOJUQF-QWHCGFSZSA-N 2 1 266.385 1.746 20 10 CDCDMP COc1ccc(O)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271821335 348461745 /nfs/dbraw/zinc/46/17/45/348461745.db2.gz NAMZUGAOCIUXPS-UHFFFAOYSA-N 2 1 262.353 1.752 20 10 CDCDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295959925 371537532 /nfs/dbraw/zinc/53/75/32/371537532.db2.gz LYTBPOHNUDVQEQ-CQSZACIVSA-N 2 1 278.396 1.937 20 10 CDCDMP Oc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)OCO2 ZINC000252667303 334384620 /nfs/dbraw/zinc/38/46/20/334384620.db2.gz IKDXCZYCSUBXDV-OLZOCXBDSA-N 2 1 290.363 1.837 20 10 CDCDMP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000273575690 334767350 /nfs/dbraw/zinc/76/73/50/334767350.db2.gz LTBFPRWHQJXCGX-NSHDSACASA-N 2 1 282.359 1.639 20 10 CDCDMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)ccc1N(C)C ZINC001235984897 1161200542 /nfs/dbraw/zinc/20/05/42/1161200542.db2.gz BMHXKBZNTMIRNX-GOEBONIOSA-N 2 1 259.397 1.984 20 10 CDCDMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)ccc1N(C)C ZINC001235984897 1161200549 /nfs/dbraw/zinc/20/05/49/1161200549.db2.gz BMHXKBZNTMIRNX-GOEBONIOSA-N 2 1 259.397 1.984 20 10 CDCDMP CC[NH+]1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000042880335 521580884 /nfs/dbraw/zinc/58/08/84/521580884.db2.gz OIRQWUDLTFELLE-UHFFFAOYSA-N 2 1 278.352 1.695 20 10 CDCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000762790201 576672572 /nfs/dbraw/zinc/67/25/72/576672572.db2.gz YJJWXLFGLTYPOQ-WMLDXEAASA-N 2 1 291.439 1.860 20 10 CDCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762790201 576672575 /nfs/dbraw/zinc/67/25/75/576672575.db2.gz YJJWXLFGLTYPOQ-WMLDXEAASA-N 2 1 291.439 1.860 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843059006 618692360 /nfs/dbraw/zinc/69/23/60/618692360.db2.gz BZOKWDWYVDYOCO-SCRDCRAPSA-N 2 1 276.380 1.960 20 10 CDCDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843129990 618694193 /nfs/dbraw/zinc/69/41/93/618694193.db2.gz WIBRDMHGHYFHOL-GJZGRUSLSA-N 2 1 290.455 1.654 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(O)c1 ZINC000904405435 626282262 /nfs/dbraw/zinc/28/22/62/626282262.db2.gz IKZUUAUVKAEPIV-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1O ZINC000253202391 805328159 /nfs/dbraw/zinc/32/81/59/805328159.db2.gz YVMHBBXRFPNAQF-DGCLKSJQSA-N 2 1 264.369 1.818 20 10 CDCDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843056795 811616379 /nfs/dbraw/zinc/61/63/79/811616379.db2.gz AEMIBZTVUVKROJ-ZBFHGGJFSA-N 2 1 289.423 1.692 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1O ZINC000380709673 811892208 /nfs/dbraw/zinc/89/22/08/811892208.db2.gz IBMJFCOEVGXBCD-TZMCWYRMSA-N 2 1 276.380 1.975 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000817946010 817298218 /nfs/dbraw/zinc/29/82/18/817298218.db2.gz PXYFITNLIQCGTC-NEPJUHHUSA-N 2 1 292.379 1.829 20 10 CDCDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843048725 817324847 /nfs/dbraw/zinc/32/48/47/817324847.db2.gz UFBPKFQYOZBAFL-OAHLLOKOSA-N 2 1 275.396 1.304 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205064799 911877748 /nfs/dbraw/zinc/87/77/48/911877748.db2.gz VYAJNLCYXVLHSL-JQWIXIFHSA-N 2 1 250.342 1.712 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205064799 911877757 /nfs/dbraw/zinc/87/77/57/911877757.db2.gz VYAJNLCYXVLHSL-JQWIXIFHSA-N 2 1 250.342 1.712 20 10 CDCDMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206174532 911909022 /nfs/dbraw/zinc/90/90/22/911909022.db2.gz NSFIMYWSHSQBIF-OLZOCXBDSA-N 2 1 252.333 1.962 20 10 CDCDMP Cc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(O)c1 ZINC001140950918 936783456 /nfs/dbraw/zinc/78/34/56/936783456.db2.gz OZQDCHYUZJDFNV-UHFFFAOYSA-N 2 1 277.412 1.380 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1C[NH3+] ZINC001205601309 923095776 /nfs/dbraw/zinc/09/57/76/923095776.db2.gz DIKIDVIBEOWSHM-WCQYABFASA-N 2 1 264.369 1.905 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H](C)CC[C@H]2CN)c1 ZINC001205806920 925169553 /nfs/dbraw/zinc/16/95/53/925169553.db2.gz WPFBDICLZQNVPQ-AAEUAGOBSA-N 2 1 264.369 1.960 20 10 CDCDMP CCOc1cccc(C[N@@H+](C)C2CC[NH2+]CC2)c1O ZINC000843046305 937106082 /nfs/dbraw/zinc/10/60/82/937106082.db2.gz RDPYGJGKPBJDHN-UHFFFAOYSA-N 2 1 264.369 1.975 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CCC[C@H]1C[NH3+] ZINC001206012196 928115686 /nfs/dbraw/zinc/11/56/86/928115686.db2.gz JDFOMIIOOWPSPC-JQWIXIFHSA-N 2 1 280.368 1.610 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000817960399 930646852 /nfs/dbraw/zinc/64/68/52/930646852.db2.gz MUSNBVPGYOBWCC-NOZJJQNGSA-N 2 1 250.342 1.789 20 10 CDCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001206563936 936039345 /nfs/dbraw/zinc/03/93/45/936039345.db2.gz LDBQDJCZKSYAAG-HNNXBMFYSA-N 2 1 280.368 1.754 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205248448 939842672 /nfs/dbraw/zinc/84/26/72/939842672.db2.gz PLCURDZUYPBQRA-INIZCTEOSA-N 2 1 294.395 1.385 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1C[NH3+] ZINC001205639517 939910899 /nfs/dbraw/zinc/91/08/99/939910899.db2.gz ZRIMVJUAVAXBSP-QWRGUYRKSA-N 2 1 280.368 1.610 20 10 CDCDMP Oc1c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)ccc2ccccc21 ZINC001234989657 943996824 /nfs/dbraw/zinc/99/68/24/943996824.db2.gz QFENSBZSNYGQBB-GOSISDBHSA-N 2 1 297.402 1.683 20 10 CDCDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(F)ccc1O ZINC000289505827 522754994 /nfs/dbraw/zinc/75/49/94/522754994.db2.gz UEOWVIBWVHMUCT-UHFFFAOYSA-N 2 1 295.402 1.601 20 10 CDCDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000892613652 617536201 /nfs/dbraw/zinc/53/62/01/617536201.db2.gz NSTVALLAVNZTAH-LBPRGKRZSA-N 2 1 294.395 1.841 20 10 CDCDMP [NH3+]Cc1ccc2c(c1)CCCN2CC[NH+]1CCOCC1 ZINC000062801581 818838951 /nfs/dbraw/zinc/83/89/51/818838951.db2.gz KSKRWGQWOAHJPD-UHFFFAOYSA-N 2 1 275.396 1.230 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)O ZINC000775700889 819014406 /nfs/dbraw/zinc/01/44/06/819014406.db2.gz QMZDUUQKUYCQNA-UHFFFAOYSA-N 2 1 291.439 1.641 20 10 CDCDMP Cc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(O)c1 ZINC000877499040 819822203 /nfs/dbraw/zinc/82/22/03/819822203.db2.gz KWLGCQACMORZBB-UHFFFAOYSA-N 2 1 291.439 1.816 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000128108614 821014396 /nfs/dbraw/zinc/01/43/96/821014396.db2.gz SVQFGNJHNMQXCD-AAEUAGOBSA-N 2 1 264.369 1.973 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000128108614 821014406 /nfs/dbraw/zinc/01/44/06/821014406.db2.gz SVQFGNJHNMQXCD-AAEUAGOBSA-N 2 1 264.369 1.973 20 10 CDCDMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817979644 821098989 /nfs/dbraw/zinc/09/89/89/821098989.db2.gz CINCVFCBHITNRV-XJKSGUPXSA-N 2 1 277.412 1.782 20 10 CDCDMP [NH3+]CCCOC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843056245 821277036 /nfs/dbraw/zinc/27/70/36/821277036.db2.gz FSKZZVQLRRIAQU-UHFFFAOYSA-N 2 1 282.359 1.861 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000843052040 821805881 /nfs/dbraw/zinc/80/58/81/821805881.db2.gz OYTSXZRJJGUCOF-NWDGAFQWSA-N 2 1 294.395 1.969 20 10 CDCDMP C[N@@H+](CCC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843051362 822357778 /nfs/dbraw/zinc/35/77/78/822357778.db2.gz XETNTOQLOSGSHC-UHFFFAOYSA-N 3 1 276.428 1.219 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094339079 901147056 /nfs/dbraw/zinc/14/70/56/901147056.db2.gz DPCZEUXCZUOMLI-MFKMUULPSA-N 2 1 250.342 1.570 20 10 CDCDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001172245857 911516551 /nfs/dbraw/zinc/51/65/51/911516551.db2.gz BLFGFDYTIIAYTR-UHFFFAOYSA-N 2 1 294.395 1.688 20 10 CDCDMP C[N@H+]1CC[C@]2(CCN(Cc3cc(O)ccc3O)C2)C1 ZINC001141160933 936822849 /nfs/dbraw/zinc/82/28/49/936822849.db2.gz JWMKTERRCALENT-HNNXBMFYSA-N 2 1 262.353 1.625 20 10 CDCDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(O)ccc3O)C2)C1 ZINC001141160933 936822851 /nfs/dbraw/zinc/82/28/51/936822851.db2.gz JWMKTERRCALENT-HNNXBMFYSA-N 2 1 262.353 1.625 20 10 CDCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(O)ccc3O)C2)C1 ZINC001141160933 936822854 /nfs/dbraw/zinc/82/28/54/936822854.db2.gz JWMKTERRCALENT-HNNXBMFYSA-N 2 1 262.353 1.625 20 10 CDCDMP CC[N@H+](CCC[NH+](C)C)Cc1cc(O)ccc1O ZINC001141162453 936822890 /nfs/dbraw/zinc/82/28/90/936822890.db2.gz SAOLEAWQJOHMQE-UHFFFAOYSA-N 2 1 252.358 1.871 20 10 CDCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(O)ccc1O ZINC001141162453 936822892 /nfs/dbraw/zinc/82/28/92/936822892.db2.gz SAOLEAWQJOHMQE-UHFFFAOYSA-N 2 1 252.358 1.871 20 10 CDCDMP CC[N@@H+](CCCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716160 924903570 /nfs/dbraw/zinc/90/35/70/924903570.db2.gz CUYFIIBNIHFCKU-UHFFFAOYSA-N 2 1 291.439 1.643 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(O)c1 ZINC000843051097 937106800 /nfs/dbraw/zinc/10/68/00/937106800.db2.gz DZPPKIPGOVQIJL-RISCZKNCSA-N 2 1 264.369 1.960 20 10 CDCDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843058251 937109755 /nfs/dbraw/zinc/10/97/55/937109755.db2.gz QJKKQLMXPUFACJ-ZJUUUORDSA-N 2 1 264.325 1.290 20 10 CDCDMP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817936582 930636453 /nfs/dbraw/zinc/63/64/53/930636453.db2.gz PNDFZVCPLAIEOX-GFCCVEGCSA-N 2 1 281.375 1.477 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205683013 939917642 /nfs/dbraw/zinc/91/76/42/939917642.db2.gz WFZLCMNOXYXGGB-OAHLLOKOSA-N 2 1 280.368 1.082 20 10 CDCDMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205682012 939917667 /nfs/dbraw/zinc/91/76/67/939917667.db2.gz QCJBQGONLCVHJR-MRXNPFEDSA-N 2 1 278.396 1.685 20 10 CDCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCC1(F)F ZINC001205762732 939933649 /nfs/dbraw/zinc/93/36/49/939933649.db2.gz NBSAFDQMEJXCTP-JTQLQIEISA-N 2 1 272.295 1.514 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCC1(F)F ZINC001205762732 939933651 /nfs/dbraw/zinc/93/36/51/939933651.db2.gz NBSAFDQMEJXCTP-JTQLQIEISA-N 2 1 272.295 1.514 20 10 CDCDMP Cc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)ccc1N(C)C ZINC001234985365 943994857 /nfs/dbraw/zinc/99/48/57/943994857.db2.gz ARRWDDZHGJKWNY-KRWDZBQOSA-N 2 1 288.439 1.198 20 10 CDCDMP Oc1cccc(Cl)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234986625 943997437 /nfs/dbraw/zinc/99/74/37/943997437.db2.gz KTSKHZSEZKDHDQ-CQSZACIVSA-N 2 1 281.787 1.183 20 10 CDCDMP CC(C)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234992758 944001031 /nfs/dbraw/zinc/00/10/31/944001031.db2.gz TUGQSGKERWLCJU-QGZVFWFLSA-N 2 1 289.423 1.653 20 10 CDCDMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246248863 948055237 /nfs/dbraw/zinc/05/52/37/948055237.db2.gz WCLUWSWQQDKAKE-ZYHUDNBSSA-N 2 1 250.342 1.370 20 10 CDCDMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000037649334 526023198 /nfs/dbraw/zinc/02/31/98/526023198.db2.gz QMTFHEACRIPGKH-GFCCVEGCSA-N 2 1 276.380 1.975 20 10 CDCDMP CC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)CC[C@@H]1[NH3+] ZINC000122385906 617684462 /nfs/dbraw/zinc/68/44/62/617684462.db2.gz GVYCIIRBVMDGLD-AAEUAGOBSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000162640386 1180190198 /nfs/dbraw/zinc/19/01/98/1180190198.db2.gz IQUDBGPWVKOPCR-ZBFHGGJFSA-N 2 1 289.423 1.958 20 10 CDCDMP CCCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000873107771 823809060 /nfs/dbraw/zinc/80/90/60/823809060.db2.gz QICRSVPKJUOVKO-QGZVFWFLSA-N 2 1 292.423 1.940 20 10 CDCDMP CCCOc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000873107771 823809064 /nfs/dbraw/zinc/80/90/64/823809064.db2.gz QICRSVPKJUOVKO-QGZVFWFLSA-N 2 1 292.423 1.940 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(O)c1 ZINC000843116256 824845979 /nfs/dbraw/zinc/84/59/79/824845979.db2.gz KDXQJGOLIYCFEB-HNNXBMFYSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130642339 825146295 /nfs/dbraw/zinc/14/62/95/825146295.db2.gz WNWKOKDBTLKUQM-GLQYFDAESA-N 2 1 276.380 1.960 20 10 CDCDMP C[C@@H]1COCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775183414 826193611 /nfs/dbraw/zinc/19/36/11/826193611.db2.gz XBFVYRQPKBBPSG-OAHLLOKOSA-N 2 1 289.423 1.659 20 10 CDCDMP C[C@@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775183414 826193622 /nfs/dbraw/zinc/19/36/22/826193622.db2.gz XBFVYRQPKBBPSG-OAHLLOKOSA-N 2 1 289.423 1.659 20 10 CDCDMP COc1c(O)c(C[NH2+][C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000841081574 826341171 /nfs/dbraw/zinc/34/11/71/826341171.db2.gz YANHBFZYTUPCHG-SNVBAGLBSA-N 2 1 297.355 1.916 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000775648026 826504989 /nfs/dbraw/zinc/50/49/89/826504989.db2.gz MXRZDBASFGPJQC-QGZVFWFLSA-N 2 1 289.423 1.395 20 10 CDCDMP [NH3+]CCCOCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000863650598 827317997 /nfs/dbraw/zinc/31/79/97/827317997.db2.gz WJDHHIFVYPROOI-UHFFFAOYSA-N 2 1 276.739 1.640 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857225991 827784330 /nfs/dbraw/zinc/78/43/30/827784330.db2.gz CLHVGJZAHOMTET-DOMZBBRYSA-N 2 1 262.353 1.714 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857225991 827784349 /nfs/dbraw/zinc/78/43/49/827784349.db2.gz CLHVGJZAHOMTET-DOMZBBRYSA-N 2 1 262.353 1.714 20 10 CDCDMP C[N@@H+](CCOCC[NH3+])Cc1c(O)cccc1Cl ZINC000699492595 913877982 /nfs/dbraw/zinc/87/79/82/913877982.db2.gz XQGOJBYNTRBIGX-UHFFFAOYSA-N 2 1 258.749 1.453 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001205779036 924929277 /nfs/dbraw/zinc/92/92/77/924929277.db2.gz ISUSTETZYUPQBA-QMMMGPOBSA-N 2 1 288.294 1.219 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001169099950 927702445 /nfs/dbraw/zinc/70/24/45/927702445.db2.gz XHUVVYXNMDWIJK-CLLJXQQHSA-N 2 1 262.353 1.813 20 10 CDCDMP COc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205664397 939912581 /nfs/dbraw/zinc/91/25/81/939912581.db2.gz NAGNNDDUWUVGMV-OAHLLOKOSA-N 2 1 280.368 1.077 20 10 CDCDMP [NH3+][C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001206197908 939995652 /nfs/dbraw/zinc/99/56/52/939995652.db2.gz KILYULKKVOOJCZ-NXEZZACHSA-N 2 1 270.304 1.065 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001206197908 939995656 /nfs/dbraw/zinc/99/56/56/939995656.db2.gz KILYULKKVOOJCZ-NXEZZACHSA-N 2 1 270.304 1.065 20 10 CDCDMP CC[NH+]1CCN(c2ccc(O[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC001234657798 943930909 /nfs/dbraw/zinc/93/09/09/943930909.db2.gz IQGPRDASLHLZRY-KRWDZBQOSA-N 2 1 289.423 1.911 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237385083 944743014 /nfs/dbraw/zinc/74/30/14/944743014.db2.gz ZXWWHFPJWFDZEK-GXTWGEPZSA-N 2 1 276.380 1.975 20 10 CDCDMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001254497028 947454429 /nfs/dbraw/zinc/45/44/29/947454429.db2.gz FGIBMRGBGLXQAW-IUODEOHRSA-N 2 1 280.368 1.205 20 10 CDCDMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001253404756 951887341 /nfs/dbraw/zinc/88/73/41/951887341.db2.gz GGGBFKGXOMKLON-AWEZNQCLSA-N 2 1 278.396 1.460 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCC[NH3+])cc2F)CC1 ZINC001328682383 955413446 /nfs/dbraw/zinc/41/34/46/955413446.db2.gz SBRBXUQSKJOLJQ-UHFFFAOYSA-N 3 1 294.418 1.406 20 10 CDCDMP Cc1ccc(O)c(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000093412951 342428187 /nfs/dbraw/zinc/42/81/87/342428187.db2.gz ZWEAZTSIVJEHNV-UHFFFAOYSA-N 2 1 292.423 1.979 20 10 CDCDMP Cc1ccc(O)c(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000093412951 342428188 /nfs/dbraw/zinc/42/81/88/342428188.db2.gz ZWEAZTSIVJEHNV-UHFFFAOYSA-N 2 1 292.423 1.979 20 10 CDCDMP C[N@H+]1CC[C@]2(CCN(Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000292106751 377887095 /nfs/dbraw/zinc/88/70/95/377887095.db2.gz PUDAUNJILBYLRU-INIZCTEOSA-N 2 1 290.363 1.649 20 10 CDCDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000292106751 377887100 /nfs/dbraw/zinc/88/71/00/377887100.db2.gz PUDAUNJILBYLRU-INIZCTEOSA-N 2 1 290.363 1.649 20 10 CDCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000292106751 377887103 /nfs/dbraw/zinc/88/71/03/377887103.db2.gz PUDAUNJILBYLRU-INIZCTEOSA-N 2 1 290.363 1.649 20 10 CDCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000292106751 377887107 /nfs/dbraw/zinc/88/71/07/377887107.db2.gz PUDAUNJILBYLRU-INIZCTEOSA-N 2 1 290.363 1.649 20 10 CDCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000292106751 377887112 /nfs/dbraw/zinc/88/71/12/377887112.db2.gz PUDAUNJILBYLRU-INIZCTEOSA-N 2 1 290.363 1.649 20 10 CDCDMP CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000762570004 576655168 /nfs/dbraw/zinc/65/51/68/576655168.db2.gz VPSTWTOAJAQGJU-QGZVFWFLSA-N 2 1 291.439 1.689 20 10 CDCDMP CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762570004 576655171 /nfs/dbraw/zinc/65/51/71/576655171.db2.gz VPSTWTOAJAQGJU-QGZVFWFLSA-N 2 1 291.439 1.689 20 10 CDCDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc2c(cc1O)CCCC2 ZINC000756554563 576995457 /nfs/dbraw/zinc/99/54/57/576995457.db2.gz IIPNLLLUEPQFPK-IUODEOHRSA-N 2 1 292.423 1.844 20 10 CDCDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889796 618482312 /nfs/dbraw/zinc/48/23/12/618482312.db2.gz VXPHQMWPHMWNCM-HUUCEWRRSA-N 2 1 293.386 1.632 20 10 CDCDMP COc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000843057853 618691690 /nfs/dbraw/zinc/69/16/90/618691690.db2.gz MNFMNHSFAJHDEH-GHMZBOCLSA-N 2 1 280.368 1.579 20 10 CDCDMP COc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000843057856 618691968 /nfs/dbraw/zinc/69/19/68/618691968.db2.gz MNFMNHSFAJHDEH-WDEREUQCSA-N 2 1 280.368 1.579 20 10 CDCDMP CN(CC[NH3+])CCNc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001170504886 1162668993 /nfs/dbraw/zinc/66/89/93/1162668993.db2.gz ODXNPISJJGMODW-HNNXBMFYSA-N 2 1 276.428 1.408 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1O ZINC000252859397 829095782 /nfs/dbraw/zinc/09/57/82/829095782.db2.gz MKWMTDCGXFYMIS-UBHSHLNASA-N 2 1 276.380 1.960 20 10 CDCDMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765905 829754700 /nfs/dbraw/zinc/75/47/00/829754700.db2.gz RPKJHEGOPVDXJP-YPMHNXCESA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765905 829754717 /nfs/dbraw/zinc/75/47/17/829754717.db2.gz RPKJHEGOPVDXJP-YPMHNXCESA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765905 829754744 /nfs/dbraw/zinc/75/47/44/829754744.db2.gz RPKJHEGOPVDXJP-YPMHNXCESA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765905 829754760 /nfs/dbraw/zinc/75/47/60/829754760.db2.gz RPKJHEGOPVDXJP-YPMHNXCESA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765905 829754765 /nfs/dbraw/zinc/75/47/65/829754765.db2.gz RPKJHEGOPVDXJP-YPMHNXCESA-N 2 1 292.379 1.893 20 10 CDCDMP COCCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775663868 833559357 /nfs/dbraw/zinc/55/93/57/833559357.db2.gz GOBGXSUQOHTMSE-UHFFFAOYSA-N 2 1 291.439 1.907 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1O ZINC000311701303 832837437 /nfs/dbraw/zinc/83/74/37/832837437.db2.gz MAJHWMPXYDRVRI-WCQYABFASA-N 2 1 262.353 1.585 20 10 CDCDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843112049 832849713 /nfs/dbraw/zinc/84/97/13/832849713.db2.gz CUWSVNCTBYMIEC-NSHDSACASA-N 2 1 278.352 1.682 20 10 CDCDMP C[N@@H+](CCC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000841004599 832856953 /nfs/dbraw/zinc/85/69/53/832856953.db2.gz UMRJNNHTNIXTGY-UHFFFAOYSA-N 2 1 263.385 1.304 20 10 CDCDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C)cc1O ZINC000794815304 832860304 /nfs/dbraw/zinc/86/03/04/832860304.db2.gz OMTOEMYNVMPVGE-HOCLYGCPSA-N 2 1 278.396 1.808 20 10 CDCDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000794815304 832860305 /nfs/dbraw/zinc/86/03/05/832860305.db2.gz OMTOEMYNVMPVGE-HOCLYGCPSA-N 2 1 278.396 1.808 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000817951212 832886709 /nfs/dbraw/zinc/88/67/09/832886709.db2.gz BRHAIEXKJJUAMF-GHMZBOCLSA-N 2 1 250.342 1.803 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000128107982 835468322 /nfs/dbraw/zinc/46/83/22/835468322.db2.gz SVQFGNJHNMQXCD-DGCLKSJQSA-N 2 1 264.369 1.973 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000128107982 835468319 /nfs/dbraw/zinc/46/83/19/835468319.db2.gz SVQFGNJHNMQXCD-DGCLKSJQSA-N 2 1 264.369 1.973 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1O ZINC001140749410 936749604 /nfs/dbraw/zinc/74/96/04/936749604.db2.gz YMJZTXAJWWATDX-UHFFFAOYSA-N 2 1 293.411 1.085 20 10 CDCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1O ZINC001275949201 932162387 /nfs/dbraw/zinc/16/23/87/932162387.db2.gz BQKZWRLXZKSUHP-YHWZYXNKSA-N 2 1 262.353 1.813 20 10 CDCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2O)C1 ZINC001205665938 939914362 /nfs/dbraw/zinc/91/43/62/939914362.db2.gz XSYMIIAHHJTZPB-AWEZNQCLSA-N 2 1 250.342 1.068 20 10 CDCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001205681451 939917243 /nfs/dbraw/zinc/91/72/43/939917243.db2.gz JQBNIHSFJCYPBA-AWEZNQCLSA-N 2 1 268.332 1.207 20 10 CDCDMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001206262576 940007915 /nfs/dbraw/zinc/00/79/15/940007915.db2.gz APJHCCVTVDOZBP-HNNXBMFYSA-N 3 1 288.439 1.280 20 10 CDCDMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001206262576 940007918 /nfs/dbraw/zinc/00/79/18/940007918.db2.gz APJHCCVTVDOZBP-HNNXBMFYSA-N 3 1 288.439 1.280 20 10 CDCDMP Nc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235410684 944147961 /nfs/dbraw/zinc/14/79/61/944147961.db2.gz YDZSKUBGPDHECA-HUUCEWRRSA-N 2 1 263.360 1.792 20 10 CDCDMP Nc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235410683 944148146 /nfs/dbraw/zinc/14/81/46/944148146.db2.gz YDZSKUBGPDHECA-GJZGRUSLSA-N 2 1 263.360 1.792 20 10 CDCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235991164 944356051 /nfs/dbraw/zinc/35/60/51/944356051.db2.gz CONKMRTUZPYVIN-MZBDJJRSSA-N 2 1 275.396 1.158 20 10 CDCDMP COc1c(O)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843129941 618694137 /nfs/dbraw/zinc/69/41/37/618694137.db2.gz VBENRVGXXFJTRZ-BDAKNGLRSA-N 2 1 283.328 1.524 20 10 CDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000843052986 837796092 /nfs/dbraw/zinc/79/60/92/837796092.db2.gz RZWXIQHFXOCDDE-LLVKDONJSA-N 2 1 250.342 1.442 20 10 CDCDMP CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1[NH3+] ZINC000843053663 837016226 /nfs/dbraw/zinc/01/62/26/837016226.db2.gz QBLUCGODVBCCFH-CMPLNLGQSA-N 2 1 278.352 1.680 20 10 CDCDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843045633 837864743 /nfs/dbraw/zinc/86/47/43/837864743.db2.gz YKDIMLJAJDCAKD-NSHDSACASA-N 2 1 278.352 1.552 20 10 CDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843045633 837864749 /nfs/dbraw/zinc/86/47/49/837864749.db2.gz YKDIMLJAJDCAKD-NSHDSACASA-N 2 1 278.352 1.552 20 10 CDCDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000839181903 839561860 /nfs/dbraw/zinc/56/18/60/839561860.db2.gz KFPKGXKLILZNDX-GFCCVEGCSA-N 2 1 292.379 1.942 20 10 CDCDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C[NH3+] ZINC000817864848 839824430 /nfs/dbraw/zinc/82/44/30/839824430.db2.gz DVDKCQBQSNGVOB-WZRBSPASSA-N 2 1 292.379 1.926 20 10 CDCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000305115042 840864131 /nfs/dbraw/zinc/86/41/31/840864131.db2.gz HOWWSFCEDZKQQC-CJNGLKHVSA-N 2 1 279.428 1.716 20 10 CDCDMP Cc1cc(Cl)cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1O ZINC000843053333 840955239 /nfs/dbraw/zinc/95/52/39/840955239.db2.gz WNHGSLUGQXJGNC-UHFFFAOYSA-N 2 1 297.830 1.691 20 10 CDCDMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000305109982 841693698 /nfs/dbraw/zinc/69/36/98/841693698.db2.gz FKRTVJBWPYNDQB-SWLSCSKDSA-N 2 1 265.401 1.326 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+](C)CCC[NH+](C)C)c1O ZINC001140742775 936748586 /nfs/dbraw/zinc/74/85/86/936748586.db2.gz YRKKJERJVBZQJG-UHFFFAOYSA-N 2 1 252.358 1.790 20 10 CDCDMP Cc1c(O)ccc(C[N@H+](C)CCC[NH+](C)C)c1O ZINC001140742775 936748587 /nfs/dbraw/zinc/74/85/87/936748587.db2.gz YRKKJERJVBZQJG-UHFFFAOYSA-N 2 1 252.358 1.790 20 10 CDCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001205663945 924203174 /nfs/dbraw/zinc/20/31/74/924203174.db2.gz KXRHCXOXMHJCSH-AWEZNQCLSA-N 2 1 284.787 1.721 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@H](C)CC[C@H]2CN)c1 ZINC001205806933 925168344 /nfs/dbraw/zinc/16/83/44/925168344.db2.gz WPFBDICLZQNVPQ-YPMHNXCESA-N 2 1 264.369 1.960 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCC[C@@H]1C[NH3+] ZINC001205994711 927522260 /nfs/dbraw/zinc/52/22/60/927522260.db2.gz MCMXORCUMOSQHZ-DGCLKSJQSA-N 2 1 264.369 1.905 20 10 CDCDMP C[N@@H+]1CCc2c(c([N+](=O)[O-])ccc2N2CC[C@@H]([NH3+])C2)C1 ZINC001164286085 939446905 /nfs/dbraw/zinc/44/69/05/939446905.db2.gz FCFRAKRTAZAKDA-SNVBAGLBSA-N 2 1 276.340 1.120 20 10 CDCDMP C[N@H+]1CCc2c(c([N+](=O)[O-])ccc2N2CC[C@@H]([NH3+])C2)C1 ZINC001164286085 939446907 /nfs/dbraw/zinc/44/69/07/939446907.db2.gz FCFRAKRTAZAKDA-SNVBAGLBSA-N 2 1 276.340 1.120 20 10 CDCDMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205326060 939881978 /nfs/dbraw/zinc/88/19/78/939881978.db2.gz UIRZKGOUQOZSEK-HNNXBMFYSA-N 3 1 288.439 1.280 20 10 CDCDMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205326060 939881983 /nfs/dbraw/zinc/88/19/83/939881983.db2.gz UIRZKGOUQOZSEK-HNNXBMFYSA-N 3 1 288.439 1.280 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(O)ccc2O)CC[C@@H]1F ZINC001206175256 939991150 /nfs/dbraw/zinc/99/11/50/939991150.db2.gz TWBJJYCFKWMROV-RYUDHWBXSA-N 2 1 254.305 1.359 20 10 CDCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1O ZINC001206534723 940055197 /nfs/dbraw/zinc/05/51/97/940055197.db2.gz BBEPTMHZVSMPTN-CABZTGNLSA-N 2 1 290.285 1.162 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1O ZINC001206534723 940055201 /nfs/dbraw/zinc/05/52/01/940055201.db2.gz BBEPTMHZVSMPTN-CABZTGNLSA-N 2 1 290.285 1.162 20 10 CDCDMP [NH3+]CCCC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001236100708 944405162 /nfs/dbraw/zinc/40/51/62/944405162.db2.gz NOHJIOYOSJPECU-UHFFFAOYSA-N 2 1 250.342 1.585 20 10 CDCDMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001253394492 951877070 /nfs/dbraw/zinc/87/70/70/951877070.db2.gz NEEKNKUEJYIADN-CYBMUJFWSA-N 2 1 278.396 1.499 20 10 CDCDMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCc2cccc(O)c2C1 ZINC001253394492 951877077 /nfs/dbraw/zinc/87/70/77/951877077.db2.gz NEEKNKUEJYIADN-CYBMUJFWSA-N 2 1 278.396 1.499 20 10 CDCDMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC001326473277 954398693 /nfs/dbraw/zinc/39/86/93/954398693.db2.gz IIUIGSHALRADPL-MNOVXSKESA-N 2 1 280.368 1.685 20 10 CDCDMP C[C@H]([NH3+])CN(C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001335382659 959760063 /nfs/dbraw/zinc/76/00/63/959760063.db2.gz PSRLZFMUXCJXPO-ZDUSSCGKSA-N 2 1 294.418 1.357 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C/C=C/CO)cc2F)CC1 ZINC001347357694 965486286 /nfs/dbraw/zinc/48/62/86/965486286.db2.gz SLCSHLHDMGBXSI-NSCUHMNNSA-N 2 1 293.386 1.216 20 10 CDCDMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872100 296132123 /nfs/dbraw/zinc/13/21/23/296132123.db2.gz VKPDAWULDYRDIF-PBHICJAKSA-N 2 1 291.439 1.860 20 10 CDCDMP COc1ccc(O)c(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000037267001 173076276 /nfs/dbraw/zinc/07/62/76/173076276.db2.gz GBHBSGFCSAGINJ-UHFFFAOYSA-N 2 1 250.342 1.585 20 10 CDCDMP CC[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775639377 844117422 /nfs/dbraw/zinc/11/74/22/844117422.db2.gz WMDWDELJTSRCAB-UHFFFAOYSA-N 2 1 277.412 1.253 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000776222587 844877817 /nfs/dbraw/zinc/87/78/17/844877817.db2.gz GCCHQJDSNPIZTF-YPMHNXCESA-N 2 1 294.395 1.982 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000776222587 844877819 /nfs/dbraw/zinc/87/78/19/844877819.db2.gz GCCHQJDSNPIZTF-YPMHNXCESA-N 2 1 294.395 1.982 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000131457472 844968323 /nfs/dbraw/zinc/96/83/23/844968323.db2.gz WXSGRLGZVMKQLB-JQWIXIFHSA-N 2 1 250.342 1.712 20 10 CDCDMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000846860664 845099895 /nfs/dbraw/zinc/09/98/95/845099895.db2.gz LMNVHKKTKHGDBT-CJNGLKHVSA-N 2 1 279.428 1.716 20 10 CDCDMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000846860664 845099897 /nfs/dbraw/zinc/09/98/97/845099897.db2.gz LMNVHKKTKHGDBT-CJNGLKHVSA-N 2 1 279.428 1.716 20 10 CDCDMP CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000708844137 845871640 /nfs/dbraw/zinc/87/16/40/845871640.db2.gz DMVHJHXGHLYHJF-WCQYABFASA-N 2 1 264.369 1.818 20 10 CDCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(O)c1 ZINC000788593177 845911012 /nfs/dbraw/zinc/91/10/12/845911012.db2.gz FUDIBJIWDKGHQO-QWHCGFSZSA-N 2 1 266.385 1.582 20 10 CDCDMP COCC[NH2+]CCNCc1cc(C)c(C)cc1O ZINC000841048190 847469317 /nfs/dbraw/zinc/46/93/17/847469317.db2.gz MSIMAGTZOPNSST-UHFFFAOYSA-N 2 1 252.358 1.335 20 10 CDCDMP Oc1ccc(Cl)cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312416411 847637648 /nfs/dbraw/zinc/63/76/48/847637648.db2.gz SMJHOJIEKQKFQA-AWEZNQCLSA-N 2 1 295.814 1.525 20 10 CDCDMP Cc1c(O)ccc(C[NH+]2CCC([NH+](C)C)CC2)c1O ZINC001140742004 898157535 /nfs/dbraw/zinc/15/75/35/898157535.db2.gz GZQSUDZUGBTUBR-UHFFFAOYSA-N 2 1 264.369 1.932 20 10 CDCDMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206174533 911909807 /nfs/dbraw/zinc/90/98/07/911909807.db2.gz NSFIMYWSHSQBIF-QWHCGFSZSA-N 2 1 252.333 1.962 20 10 CDCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205265174 918462436 /nfs/dbraw/zinc/46/24/36/918462436.db2.gz OAOHNFHGWSEHCR-AWEZNQCLSA-N 2 1 250.342 1.801 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(O)cc1O ZINC001205281275 918661076 /nfs/dbraw/zinc/66/10/76/918661076.db2.gz RJAKJKRZKBQIGW-HNNXBMFYSA-N 2 1 280.368 1.810 20 10 CDCDMP COc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2CN)c1O ZINC001205802130 925077705 /nfs/dbraw/zinc/07/77/05/925077705.db2.gz AARAAIJJFFRHEW-DGCLKSJQSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@H](C)CC[C@@H]2CN)c1O ZINC001205802130 925077714 /nfs/dbraw/zinc/07/77/14/925077714.db2.gz AARAAIJJFFRHEW-DGCLKSJQSA-N 2 1 264.369 1.960 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001169109103 927754889 /nfs/dbraw/zinc/75/48/89/927754889.db2.gz YDQSVGBVCZPVGU-XYYAHUGASA-N 2 1 262.353 1.813 20 10 CDCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946986 939958798 /nfs/dbraw/zinc/95/87/98/939958798.db2.gz UXZLXOJBIIPPAF-HZPDHXFCSA-N 2 1 277.412 1.427 20 10 CDCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946986 939958801 /nfs/dbraw/zinc/95/88/01/939958801.db2.gz UXZLXOJBIIPPAF-HZPDHXFCSA-N 2 1 277.412 1.427 20 10 CDCDMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001206342730 940022374 /nfs/dbraw/zinc/02/23/74/940022374.db2.gz ATAHYCQHCWOKKE-CQSZACIVSA-N 2 1 268.332 1.751 20 10 CDCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001206342730 940022376 /nfs/dbraw/zinc/02/23/76/940022376.db2.gz ATAHYCQHCWOKKE-CQSZACIVSA-N 2 1 268.332 1.751 20 10 CDCDMP Oc1cc2ccccc2cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234992041 944000539 /nfs/dbraw/zinc/00/05/39/944000539.db2.gz RVFVJOFEOPUNLF-GOSISDBHSA-N 2 1 297.402 1.683 20 10 CDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235842899 944295930 /nfs/dbraw/zinc/29/59/30/944295930.db2.gz TXJJBCYNVRCXNF-INIZCTEOSA-N 3 1 288.439 1.138 20 10 CDCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235842899 944295936 /nfs/dbraw/zinc/29/59/36/944295936.db2.gz TXJJBCYNVRCXNF-INIZCTEOSA-N 2 1 288.439 1.138 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237383465 944739988 /nfs/dbraw/zinc/73/99/88/944739988.db2.gz PFWRZCSEBFGZLH-IUODEOHRSA-N 2 1 276.380 1.975 20 10 CDCDMP Nc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC001356083494 969329110 /nfs/dbraw/zinc/32/91/10/969329110.db2.gz PQNNCRMOWUMCDL-XIRDDKMYSA-N 2 1 289.423 1.987 20 10 CDCDMP CN(C)c1ccc(/C=C/C[NH2+]C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001578425861 1171905878 /nfs/dbraw/zinc/90/58/78/1171905878.db2.gz PPCYEJATVQIHQD-CWDCEQMOSA-N 2 1 275.396 1.080 20 10 CDCDMP COc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1C ZINC001579216528 1172118061 /nfs/dbraw/zinc/11/80/61/1172118061.db2.gz YMQNRNUPIJNFGY-UHFFFAOYSA-N 2 1 264.369 1.208 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000843052854 697898835 /nfs/dbraw/zinc/89/88/35/697898835.db2.gz WSMMSBBTPOIZII-PBHICJAKSA-N 2 1 289.423 1.692 20 10 CDCDMP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320078 698701378 /nfs/dbraw/zinc/70/13/78/698701378.db2.gz JDOGFVMHDJHUKM-QWRGUYRKSA-N 2 1 252.745 1.697 20 10 CDCDMP COc1cccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000846166570 698785863 /nfs/dbraw/zinc/78/58/63/698785863.db2.gz ZLBIPFJYUNHNGO-IAQYHMDHSA-N 2 1 280.368 1.118 20 10 CDCDMP COc1cccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000846166570 698785865 /nfs/dbraw/zinc/78/58/65/698785865.db2.gz ZLBIPFJYUNHNGO-IAQYHMDHSA-N 2 1 280.368 1.118 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000776222584 705074492 /nfs/dbraw/zinc/07/44/92/705074492.db2.gz GCCHQJDSNPIZTF-DGCLKSJQSA-N 2 1 294.395 1.982 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000776222584 705074500 /nfs/dbraw/zinc/07/45/00/705074500.db2.gz GCCHQJDSNPIZTF-DGCLKSJQSA-N 2 1 294.395 1.982 20 10 CDCDMP COc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000090721539 848195874 /nfs/dbraw/zinc/19/58/74/848195874.db2.gz JLYQHVNTVKHADE-YPMHNXCESA-N 2 1 264.369 1.973 20 10 CDCDMP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000090721539 848195882 /nfs/dbraw/zinc/19/58/82/848195882.db2.gz JLYQHVNTVKHADE-YPMHNXCESA-N 2 1 264.369 1.973 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000841038683 848251845 /nfs/dbraw/zinc/25/18/45/848251845.db2.gz NUFQURVYJJJKRB-LBPRGKRZSA-N 2 1 282.384 1.872 20 10 CDCDMP Oc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222237951 899965486 /nfs/dbraw/zinc/96/54/86/899965486.db2.gz XUCGDBIRKRICAG-OAHLLOKOSA-N 2 1 262.353 1.816 20 10 CDCDMP Oc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222237951 899965494 /nfs/dbraw/zinc/96/54/94/899965494.db2.gz XUCGDBIRKRICAG-OAHLLOKOSA-N 2 1 262.353 1.816 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1F ZINC001206173662 911843077 /nfs/dbraw/zinc/84/30/77/911843077.db2.gz JIRIGVLTIJVOFQ-NWDGAFQWSA-N 2 1 256.296 1.793 20 10 CDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1COC1 ZINC001139409651 936618074 /nfs/dbraw/zinc/61/80/74/936618074.db2.gz OQHXKCOSVBFPHW-UHFFFAOYSA-N 2 1 275.396 1.269 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1COC1 ZINC001139409651 936618076 /nfs/dbraw/zinc/61/80/76/936618076.db2.gz OQHXKCOSVBFPHW-UHFFFAOYSA-N 2 1 275.396 1.269 20 10 CDCDMP CC[NH+](CC)C[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC001253187855 929906760 /nfs/dbraw/zinc/90/67/60/929906760.db2.gz JZTZAVPUXRSOBR-AWEZNQCLSA-N 2 1 266.385 1.527 20 10 CDCDMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC001253187855 929906769 /nfs/dbraw/zinc/90/67/69/929906769.db2.gz JZTZAVPUXRSOBR-AWEZNQCLSA-N 2 1 266.385 1.527 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(O)cc1O ZINC001205639298 939911020 /nfs/dbraw/zinc/91/10/20/939911020.db2.gz YRNJXWIWUMGZKH-RYUDHWBXSA-N 2 1 294.395 1.913 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)CCC[C@@H]1C[NH3+] ZINC001205994670 939964761 /nfs/dbraw/zinc/96/47/61/939964761.db2.gz LSEZFMYNZJLVCU-VXGBXAGGSA-N 2 1 264.369 1.905 20 10 CDCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206464472 940043416 /nfs/dbraw/zinc/04/34/16/940043416.db2.gz OSWIVWFERUOMQA-FUHWJXTLSA-N 2 1 299.418 1.846 20 10 CDCDMP CCc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222511173 941606667 /nfs/dbraw/zinc/60/66/67/941606667.db2.gz RPYLWFAVOKEICX-HOTGVXAUSA-N 2 1 289.423 1.480 20 10 CDCDMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(O)c1 ZINC000380737104 943876482 /nfs/dbraw/zinc/87/64/82/943876482.db2.gz LLYYXYYXCWEELP-OCCSQVGLSA-N 2 1 276.380 1.784 20 10 CDCDMP C[C@H](CC[NH3+])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001348515020 966034588 /nfs/dbraw/zinc/03/45/88/966034588.db2.gz IMFHQSGFBQMGOS-CYBMUJFWSA-N 3 1 294.418 1.404 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c(O)c1 ZINC001579145342 1172105609 /nfs/dbraw/zinc/10/56/09/1172105609.db2.gz YGDBUZCXWYNRFK-LBPRGKRZSA-N 2 1 264.369 1.880 20 10 CDCDMP CCOc1cccc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)c1O ZINC000841067213 621698793 /nfs/dbraw/zinc/69/87/93/621698793.db2.gz KSBJTKGVIORROR-MRXNPFEDSA-N 2 1 294.395 1.649 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904405646 626282241 /nfs/dbraw/zinc/28/22/41/626282241.db2.gz MBMXTOTWLFGKNK-LLVKDONJSA-N 2 1 280.368 1.580 20 10 CDCDMP CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC000873216051 705729139 /nfs/dbraw/zinc/72/91/39/705729139.db2.gz JOYKTNQHUODAKB-WCQYABFASA-N 2 1 264.369 1.818 20 10 CDCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000702636998 705761214 /nfs/dbraw/zinc/76/12/14/705761214.db2.gz RJKPIHJOWGKFDJ-DOMZBBRYSA-N 2 1 264.369 1.418 20 10 CDCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000702636998 705761217 /nfs/dbraw/zinc/76/12/17/705761217.db2.gz RJKPIHJOWGKFDJ-DOMZBBRYSA-N 2 1 264.369 1.418 20 10 CDCDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846699514 705896686 /nfs/dbraw/zinc/89/66/86/705896686.db2.gz UCJNJBZCZOAQCY-GXSJLCMTSA-N 2 1 264.325 1.433 20 10 CDCDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846699514 705896690 /nfs/dbraw/zinc/89/66/90/705896690.db2.gz UCJNJBZCZOAQCY-GXSJLCMTSA-N 2 1 264.325 1.433 20 10 CDCDMP C[C@@H]([NH2+]CCc1ccc(N)cc1)c1c[nH+]ccc1N ZINC000817957072 706062332 /nfs/dbraw/zinc/06/23/32/706062332.db2.gz IHHATKFPBDVEFD-LLVKDONJSA-N 2 1 256.353 1.970 20 10 CDCDMP Cc1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1O ZINC000843122128 706130166 /nfs/dbraw/zinc/13/01/66/706130166.db2.gz KYZYVPBVAOYNLB-HNNXBMFYSA-N 2 1 275.396 1.180 20 10 CDCDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843057011 706247738 /nfs/dbraw/zinc/24/77/38/706247738.db2.gz FERAKTLXGSZXRH-UWVGGRQHSA-N 2 1 264.325 1.290 20 10 CDCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)CO ZINC000814170079 709644341 /nfs/dbraw/zinc/64/43/41/709644341.db2.gz RKOFILVKLZMPQM-OAHLLOKOSA-N 2 1 291.439 1.641 20 10 CDCDMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000702637003 710484830 /nfs/dbraw/zinc/48/48/30/710484830.db2.gz RJKPIHJOWGKFDJ-SWLSCSKDSA-N 2 1 264.369 1.418 20 10 CDCDMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000702637003 710484844 /nfs/dbraw/zinc/48/48/44/710484844.db2.gz RJKPIHJOWGKFDJ-SWLSCSKDSA-N 2 1 264.369 1.418 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000817960401 710735314 /nfs/dbraw/zinc/73/53/14/710735314.db2.gz MUSNBVPGYOBWCC-RNCFNFMXSA-N 2 1 250.342 1.789 20 10 CDCDMP C[N@@H+](CCC[NH3+])Cc1cc(Br)ccc1O ZINC000220231508 711687828 /nfs/dbraw/zinc/68/78/28/711687828.db2.gz DZVWQIYQGKQPSD-UHFFFAOYSA-N 2 1 273.174 1.935 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843112644 711714440 /nfs/dbraw/zinc/71/44/40/711714440.db2.gz JYXWZHDBZHUKPM-LBPRGKRZSA-N 2 1 264.369 1.962 20 10 CDCDMP CCc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205247542 919401974 /nfs/dbraw/zinc/40/19/74/919401974.db2.gz IOTPGTVFFQMGTE-INIZCTEOSA-N 2 1 278.396 1.630 20 10 CDCDMP CC(=O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139407731 936617968 /nfs/dbraw/zinc/61/79/68/936617968.db2.gz BUZQEWRRYMHMER-UHFFFAOYSA-N 2 1 275.396 1.459 20 10 CDCDMP CC(=O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139407731 936617969 /nfs/dbraw/zinc/61/79/69/936617969.db2.gz BUZQEWRRYMHMER-UHFFFAOYSA-N 2 1 275.396 1.459 20 10 CDCDMP COc1cc(C)c(C[NH+]2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206738134 936644888 /nfs/dbraw/zinc/64/48/88/936644888.db2.gz VTUCFYWQMYVUAS-UHFFFAOYSA-N 2 1 250.342 1.490 20 10 CDCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001205681054 939916754 /nfs/dbraw/zinc/91/67/54/939916754.db2.gz DWHQEJCWAFBOAY-CQSZACIVSA-N 2 1 284.787 1.721 20 10 CDCDMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206480666 940047224 /nfs/dbraw/zinc/04/72/24/940047224.db2.gz HSRHMXLJYXULEV-SWLSCSKDSA-N 2 1 278.396 1.441 20 10 CDCDMP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc(O)c1O ZINC001206616415 940072039 /nfs/dbraw/zinc/07/20/39/940072039.db2.gz NWBDYDRAXZPOTF-NSHDSACASA-N 2 1 280.368 1.667 20 10 CDCDMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc(O)c1O ZINC001206616415 940072043 /nfs/dbraw/zinc/07/20/43/940072043.db2.gz NWBDYDRAXZPOTF-NSHDSACASA-N 2 1 280.368 1.667 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC000312108095 941341769 /nfs/dbraw/zinc/34/17/69/941341769.db2.gz LBJWTBJPBVGQCE-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP Oc1cc(F)c(F)cc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222095421 941564215 /nfs/dbraw/zinc/56/42/15/941564215.db2.gz SBSLWGLHTSILAA-UHFFFAOYSA-N 2 1 297.349 1.198 20 10 CDCDMP Oc1cc(F)c(F)cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222095421 941564216 /nfs/dbraw/zinc/56/42/16/941564216.db2.gz SBSLWGLHTSILAA-UHFFFAOYSA-N 2 1 297.349 1.198 20 10 CDCDMP Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321126 944469265 /nfs/dbraw/zinc/46/92/65/944469265.db2.gz XGNVXRFXFFYXES-TXEJJXNPSA-N 2 1 264.344 1.963 20 10 CDCDMP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001236883437 944599795 /nfs/dbraw/zinc/59/97/95/944599795.db2.gz AQUVAGOKSCCJPW-LBPRGKRZSA-N 2 1 251.374 1.627 20 10 CDCDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001236883437 944599799 /nfs/dbraw/zinc/59/97/99/944599799.db2.gz AQUVAGOKSCCJPW-LBPRGKRZSA-N 2 1 251.374 1.627 20 10 CDCDMP C[N@H+]1CCC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001254504026 947460612 /nfs/dbraw/zinc/46/06/12/947460612.db2.gz RIOZFJPZHBJVAO-GFCCVEGCSA-N 2 1 280.368 1.420 20 10 CDCDMP C[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001255422556 947868968 /nfs/dbraw/zinc/86/89/68/947868968.db2.gz ZGCIXBGIKBIUGN-MRXNPFEDSA-N 2 1 289.423 1.650 20 10 CDCDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1OC ZINC001334964753 959493128 /nfs/dbraw/zinc/49/31/28/959493128.db2.gz JLXNYFYCPDJPKY-AAEUAGOBSA-N 2 1 294.395 1.982 20 10 CDCDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1OC ZINC001334964753 959493138 /nfs/dbraw/zinc/49/31/38/959493138.db2.gz JLXNYFYCPDJPKY-AAEUAGOBSA-N 2 1 294.395 1.982 20 10 CDCDMP Oc1cccc2c1[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CC2 ZINC000295939446 285396891 /nfs/dbraw/zinc/39/68/91/285396891.db2.gz KVNHNMRMZMNGOT-HNNXBMFYSA-N 2 1 290.407 1.816 20 10 CDCDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000263650317 391125401 /nfs/dbraw/zinc/12/54/01/391125401.db2.gz DAJXKDOOUHPNSZ-UHFFFAOYSA-N 2 1 289.335 1.806 20 10 CDCDMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1O ZINC000091662202 260266511 /nfs/dbraw/zinc/26/65/11/260266511.db2.gz KBGZFIYNAOOLAH-MJBXVCDLSA-N 2 1 276.380 1.906 20 10 CDCDMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1O ZINC000091662202 260266512 /nfs/dbraw/zinc/26/65/12/260266512.db2.gz KBGZFIYNAOOLAH-MJBXVCDLSA-N 2 1 276.380 1.906 20 10 CDCDMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2c1c(F)ccc2O ZINC000762787600 576672191 /nfs/dbraw/zinc/67/21/91/576672191.db2.gz MXKLMPVKGIOCSM-NSODJVPESA-N 2 1 294.370 1.736 20 10 CDCDMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000762787600 576672193 /nfs/dbraw/zinc/67/21/93/576672193.db2.gz MXKLMPVKGIOCSM-NSODJVPESA-N 2 1 294.370 1.736 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000843057186 618691165 /nfs/dbraw/zinc/69/11/65/618691165.db2.gz GMMRDZCNQKGAGY-GHMZBOCLSA-N 2 1 280.368 1.579 20 10 CDCDMP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000788271163 712185086 /nfs/dbraw/zinc/18/50/86/712185086.db2.gz ZRXYGLVTBLFNBD-RHSMWYFYSA-N 2 1 289.423 1.394 20 10 CDCDMP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000841052986 712192065 /nfs/dbraw/zinc/19/20/65/712192065.db2.gz YIJVZWFDIIIWFG-AWEZNQCLSA-N 2 1 276.428 1.265 20 10 CDCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841077169 712237977 /nfs/dbraw/zinc/23/79/77/712237977.db2.gz CFPMYWQCUAZMKN-ZSHCYNCHSA-N 2 1 259.397 1.840 20 10 CDCDMP CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000846843441 712712225 /nfs/dbraw/zinc/71/22/25/712712225.db2.gz CMWMBOHDCOTSCW-NWDGAFQWSA-N 2 1 282.384 1.364 20 10 CDCDMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846843441 712712226 /nfs/dbraw/zinc/71/22/26/712712226.db2.gz CMWMBOHDCOTSCW-NWDGAFQWSA-N 2 1 282.384 1.364 20 10 CDCDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC000090721813 895888186 /nfs/dbraw/zinc/88/81/86/895888186.db2.gz CXMFOMKAMQTACE-DGCLKSJQSA-N 2 1 264.369 1.973 20 10 CDCDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000090721813 895888190 /nfs/dbraw/zinc/88/81/90/895888190.db2.gz CXMFOMKAMQTACE-DGCLKSJQSA-N 2 1 264.369 1.973 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2O)CC1 ZINC001205209025 918905504 /nfs/dbraw/zinc/90/55/04/918905504.db2.gz HRDAQDJZLXFMEO-AWEZNQCLSA-N 2 1 250.342 1.068 20 10 CDCDMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@H]2C1 ZINC001140056023 936674647 /nfs/dbraw/zinc/67/46/47/936674647.db2.gz DXAQACOLOOCRCK-CHWSQXEVSA-N 2 1 264.344 1.915 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000702614572 922577057 /nfs/dbraw/zinc/57/70/57/922577057.db2.gz MCVGNEAGIHSSIN-OAHLLOKOSA-N 2 1 264.369 1.111 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000702614572 922577069 /nfs/dbraw/zinc/57/70/69/922577069.db2.gz MCVGNEAGIHSSIN-OAHLLOKOSA-N 2 1 264.369 1.111 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1C[NH3+] ZINC001205601308 923095073 /nfs/dbraw/zinc/09/50/73/923095073.db2.gz DIKIDVIBEOWSHM-DGCLKSJQSA-N 2 1 264.369 1.905 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000843048305 937107213 /nfs/dbraw/zinc/10/72/13/937107213.db2.gz IFXMTJVSKBFYPQ-SNVBAGLBSA-N 2 1 266.341 1.190 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843120737 937114295 /nfs/dbraw/zinc/11/42/95/937114295.db2.gz SZTOMUULLORJTL-MRXNPFEDSA-N 2 1 276.380 1.976 20 10 CDCDMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1O ZINC000821392194 931043172 /nfs/dbraw/zinc/04/31/72/931043172.db2.gz VKAHNUVTFVRJLV-CQSZACIVSA-N 2 1 266.385 1.525 20 10 CDCDMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1O ZINC000821392194 931043174 /nfs/dbraw/zinc/04/31/74/931043174.db2.gz VKAHNUVTFVRJLV-CQSZACIVSA-N 2 1 266.385 1.525 20 10 CDCDMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000821392194 931043180 /nfs/dbraw/zinc/04/31/80/931043180.db2.gz VKAHNUVTFVRJLV-CQSZACIVSA-N 2 1 266.385 1.525 20 10 CDCDMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000821392194 931043184 /nfs/dbraw/zinc/04/31/84/931043184.db2.gz VKAHNUVTFVRJLV-CQSZACIVSA-N 2 1 266.385 1.525 20 10 CDCDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC001203561391 939693496 /nfs/dbraw/zinc/69/34/96/939693496.db2.gz UJVSAIVHNPVOIE-CQSZACIVSA-N 2 1 291.395 1.034 20 10 CDCDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203561391 939693497 /nfs/dbraw/zinc/69/34/97/939693497.db2.gz UJVSAIVHNPVOIE-CQSZACIVSA-N 2 1 291.395 1.034 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205682747 939917691 /nfs/dbraw/zinc/91/76/91/939917691.db2.gz UFAYWWXMUYEYRN-OAHLLOKOSA-N 2 1 264.369 1.376 20 10 CDCDMP CN1CCOc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc21 ZINC001206175213 939990837 /nfs/dbraw/zinc/99/08/37/939990837.db2.gz SJMKLRXWCUKXKS-ZIAGYGMSSA-N 2 1 293.386 1.776 20 10 CDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)cc3O)C[C@@H]2C1 ZINC001232841808 943417198 /nfs/dbraw/zinc/41/71/98/943417198.db2.gz SQQRVVAGCWAKFE-GASCZTMLSA-N 2 1 289.423 1.842 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3O)C[C@@H]2C1 ZINC001232841808 943417202 /nfs/dbraw/zinc/41/72/02/943417202.db2.gz SQQRVVAGCWAKFE-GASCZTMLSA-N 2 1 289.423 1.842 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3O)C[C@@H]2C1 ZINC001232841808 943417205 /nfs/dbraw/zinc/41/72/05/943417205.db2.gz SQQRVVAGCWAKFE-GASCZTMLSA-N 2 1 289.423 1.842 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)cc1O ZINC001237405936 944758600 /nfs/dbraw/zinc/75/86/00/944758600.db2.gz SKUOFWQAYUACFE-AAEUAGOBSA-N 2 1 292.379 1.680 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)cc1O ZINC001237405936 944758606 /nfs/dbraw/zinc/75/86/06/944758606.db2.gz SKUOFWQAYUACFE-AAEUAGOBSA-N 2 1 292.379 1.680 20 10 CDCDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1O ZINC000272721399 365365458 /nfs/dbraw/zinc/36/54/58/365365458.db2.gz ZMMNEKGPZYZAMU-UHFFFAOYSA-N 2 1 277.412 1.462 20 10 CDCDMP Oc1ccccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000179580055 391213014 /nfs/dbraw/zinc/21/30/14/391213014.db2.gz DJDUVHJZLRUMMG-CQSZACIVSA-N 2 1 276.380 1.546 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000843057190 618691365 /nfs/dbraw/zinc/69/13/65/618691365.db2.gz GMMRDZCNQKGAGY-QWRGUYRKSA-N 2 1 280.368 1.579 20 10 CDCDMP C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1C[NH2+]C1 ZINC000902517035 624915888 /nfs/dbraw/zinc/91/58/88/624915888.db2.gz JELWTGSLWGVKGK-DYVFJYSZSA-N 2 1 290.455 1.553 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000094339080 901147076 /nfs/dbraw/zinc/14/70/76/901147076.db2.gz DPCZEUXCZUOMLI-GWCFXTLKSA-N 2 1 250.342 1.570 20 10 CDCDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)cc1O ZINC001204278127 916581375 /nfs/dbraw/zinc/58/13/75/916581375.db2.gz UTOWQZWWCJPMOX-UHFFFAOYSA-N 2 1 252.358 1.871 20 10 CDCDMP Cc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205240897 919363924 /nfs/dbraw/zinc/36/39/24/919363924.db2.gz PJAAGLXXTNZMQN-HNNXBMFYSA-N 2 1 264.369 1.376 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000843056977 919364467 /nfs/dbraw/zinc/36/44/67/919364467.db2.gz DNXOADTUJCAUIU-NEPJUHHUSA-N 2 1 264.369 1.960 20 10 CDCDMP Cn1cc[nH+]c1N1CC[NH+](Cc2ccccc2O)CC1 ZINC000827891246 936613444 /nfs/dbraw/zinc/61/34/44/936613444.db2.gz FFRQDVCKDOWZSG-UHFFFAOYSA-N 2 1 272.352 1.448 20 10 CDCDMP CC[NH+]1CCN(c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001140300785 936699146 /nfs/dbraw/zinc/69/91/46/936699146.db2.gz UATDADUDQGLQJL-UHFFFAOYSA-N 2 1 289.423 1.661 20 10 CDCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1O ZINC000702572715 922570492 /nfs/dbraw/zinc/57/04/92/922570492.db2.gz IKZNFFOATRQMCV-FZMZJTMJSA-N 2 1 250.342 1.109 20 10 CDCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1O ZINC000702572715 922570504 /nfs/dbraw/zinc/57/05/04/922570504.db2.gz IKZNFFOATRQMCV-FZMZJTMJSA-N 2 1 250.342 1.109 20 10 CDCDMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000705720939 923006091 /nfs/dbraw/zinc/00/60/91/923006091.db2.gz ZEPNVOWINIKEHR-SWLSCSKDSA-N 2 1 262.353 1.036 20 10 CDCDMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000705720939 923006105 /nfs/dbraw/zinc/00/61/05/923006105.db2.gz ZEPNVOWINIKEHR-SWLSCSKDSA-N 2 1 262.353 1.036 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](O)C3)cc2)CC1 ZINC000775638090 924468278 /nfs/dbraw/zinc/46/82/78/924468278.db2.gz AFXYYFSBJJYQAB-KRWDZBQOSA-N 2 1 289.423 1.395 20 10 CDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001205779013 924929625 /nfs/dbraw/zinc/92/96/25/924929625.db2.gz ISUSTETZYUPQBA-MRVPVSSYSA-N 2 1 288.294 1.219 20 10 CDCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C[NH3+] ZINC000841094391 936975363 /nfs/dbraw/zinc/97/53/63/936975363.db2.gz XOHUMAGQJKZLDE-INIZCTEOSA-N 2 1 277.412 1.428 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000843052858 937106851 /nfs/dbraw/zinc/10/68/51/937106851.db2.gz WSMMSBBTPOIZII-WMLDXEAASA-N 2 1 289.423 1.692 20 10 CDCDMP CC[NH+](CC)C[C@@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001253192940 929926569 /nfs/dbraw/zinc/92/65/69/929926569.db2.gz CCUBEZAYNRBHQW-OAHLLOKOSA-N 2 1 280.412 1.917 20 10 CDCDMP CC[NH+](CC)C[C@@H](O)C[N@@H+](CC)Cc1ccccc1O ZINC001253192940 929926575 /nfs/dbraw/zinc/92/65/75/929926575.db2.gz CCUBEZAYNRBHQW-OAHLLOKOSA-N 2 1 280.412 1.917 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH2+]CC2)c1 ZINC000817935101 930635518 /nfs/dbraw/zinc/63/55/18/930635518.db2.gz GNCYGQMPGRNBET-JTQLQIEISA-N 2 1 278.352 1.581 20 10 CDCDMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(F)ccc1O ZINC000817981282 930657439 /nfs/dbraw/zinc/65/74/39/930657439.db2.gz IKLSAESWJCZRQO-CMPLNLGQSA-N 2 1 268.332 1.560 20 10 CDCDMP C[NH+](C)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500102 931858958 /nfs/dbraw/zinc/85/89/58/931858958.db2.gz OZSSCBPUCOBCOZ-UHFFFAOYSA-N 2 1 266.341 1.329 20 10 CDCDMP COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)c1 ZINC001203634643 939698958 /nfs/dbraw/zinc/69/89/58/939698958.db2.gz PBLSJCKHXLMDQW-CZUORRHYSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)c1 ZINC001203634643 939698959 /nfs/dbraw/zinc/69/89/59/939698959.db2.gz PBLSJCKHXLMDQW-CZUORRHYSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1OC ZINC001205124753 939825714 /nfs/dbraw/zinc/82/57/14/939825714.db2.gz ZMDKSBFQCBNOCU-LBPRGKRZSA-N 2 1 280.368 1.723 20 10 CDCDMP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(O)c1O ZINC001205136125 939826732 /nfs/dbraw/zinc/82/67/32/939826732.db2.gz POBWOSYNLXBWAB-GXSJLCMTSA-N 2 1 266.341 1.133 20 10 CDCDMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(O)c1O ZINC001205136125 939826735 /nfs/dbraw/zinc/82/67/35/939826735.db2.gz POBWOSYNLXBWAB-GXSJLCMTSA-N 2 1 266.341 1.133 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1C[NH3+] ZINC001205145800 939828103 /nfs/dbraw/zinc/82/81/03/939828103.db2.gz HTAKFQLGTYNVQG-WCQYABFASA-N 2 1 263.385 1.485 20 10 CDCDMP [NH3+]CC1(F)CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001222533374 941608737 /nfs/dbraw/zinc/60/87/37/941608737.db2.gz VWJHMJRZPOTQNU-UHFFFAOYSA-N 2 1 256.296 1.794 20 10 CDCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@@H]2C1 ZINC001233011810 943461338 /nfs/dbraw/zinc/46/13/38/943461338.db2.gz JRTFCDOWIIKTQG-NEPJUHHUSA-N 2 1 278.352 1.187 20 10 CDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(O)c(O)c(O)c3)C[C@@H]2C1 ZINC001233011810 943461342 /nfs/dbraw/zinc/46/13/42/943461342.db2.gz JRTFCDOWIIKTQG-NEPJUHHUSA-N 2 1 278.352 1.187 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]2C1 ZINC001233011810 943461345 /nfs/dbraw/zinc/46/13/45/943461345.db2.gz JRTFCDOWIIKTQG-NEPJUHHUSA-N 2 1 278.352 1.187 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]2C1 ZINC001233011810 943461348 /nfs/dbraw/zinc/46/13/48/943461348.db2.gz JRTFCDOWIIKTQG-NEPJUHHUSA-N 2 1 278.352 1.187 20 10 CDCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235993450 944358992 /nfs/dbraw/zinc/35/89/92/944358992.db2.gz HXIBLXZWXSQXPW-NNQSOWQGSA-N 2 1 262.353 1.106 20 10 CDCDMP C[C@@H]([NH3+])CN(C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001335382656 959760146 /nfs/dbraw/zinc/76/01/46/959760146.db2.gz PSRLZFMUXCJXPO-CYBMUJFWSA-N 2 1 294.418 1.357 20 10 CDCDMP COC[C@@]1(C[NH2+]Cc2cc(C)ccc2O)CCC[NH2+]1 ZINC000841066997 618679965 /nfs/dbraw/zinc/67/99/65/618679965.db2.gz HXROJUMYONXHNJ-HNNXBMFYSA-N 2 1 264.369 1.559 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000841100856 618682239 /nfs/dbraw/zinc/68/22/39/618682239.db2.gz MCUUIYIJNRTHFD-YPMHNXCESA-N 2 1 294.395 1.826 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000215995074 619557518 /nfs/dbraw/zinc/55/75/18/619557518.db2.gz YYZWETPHPQILNP-GHMZBOCLSA-N 2 1 250.342 1.570 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CC[C@H]1C[NH3+] ZINC001205601312 923096425 /nfs/dbraw/zinc/09/64/25/923096425.db2.gz DIKIDVIBEOWSHM-YPMHNXCESA-N 2 1 264.369 1.905 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203877750 939710712 /nfs/dbraw/zinc/71/07/12/939710712.db2.gz ISXQVSBPYIWQSM-OLZOCXBDSA-N 2 1 262.353 1.481 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCC[C@@H]1C[NH3+] ZINC001205994668 939964600 /nfs/dbraw/zinc/96/46/00/939964600.db2.gz LSEZFMYNZJLVCU-NWDGAFQWSA-N 2 1 264.369 1.905 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206197896 939996247 /nfs/dbraw/zinc/99/62/47/939996247.db2.gz KFJHVVSLZMQORV-KBPBESRZSA-N 2 1 282.359 1.970 20 10 CDCDMP [O-]c1c(F)cccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091040 941562500 /nfs/dbraw/zinc/56/25/00/941562500.db2.gz NEWWWNJIYMDQJX-UHFFFAOYSA-N 2 1 279.359 1.059 20 10 CDCDMP Oc1c(F)cccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091040 941562503 /nfs/dbraw/zinc/56/25/03/941562503.db2.gz NEWWWNJIYMDQJX-UHFFFAOYSA-N 2 1 279.359 1.059 20 10 CDCDMP Oc1c(F)cccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091040 941562510 /nfs/dbraw/zinc/56/25/10/941562510.db2.gz NEWWWNJIYMDQJX-UHFFFAOYSA-N 2 1 279.359 1.059 20 10 CDCDMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(O)c(O)c(O)c3)(C1)CCC2 ZINC001276830625 941604129 /nfs/dbraw/zinc/60/41/29/941604129.db2.gz QKYWJNFXOBLHST-JKSUJKDBSA-N 2 1 292.379 1.958 20 10 CDCDMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(O)c(O)cc1O ZINC001233485119 943592068 /nfs/dbraw/zinc/59/20/68/943592068.db2.gz JGUPPDXKSPTNAD-UHFFFAOYSA-N 2 1 280.368 1.721 20 10 CDCDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(O)c(O)cc1O ZINC001233485119 943592076 /nfs/dbraw/zinc/59/20/76/943592076.db2.gz JGUPPDXKSPTNAD-UHFFFAOYSA-N 2 1 280.368 1.721 20 10 CDCDMP COC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323318464 960643608 /nfs/dbraw/zinc/64/36/08/960643608.db2.gz IZWKDHRFTIGXCH-CYBMUJFWSA-N 2 1 295.402 1.702 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](O)C3)cc2F)CC1 ZINC001350584928 966701916 /nfs/dbraw/zinc/70/19/16/966701916.db2.gz XRSCXOXSEZONLP-HDJSIYSDSA-N 2 1 293.386 1.190 20 10 CDCDMP C[N@@H+](CCCO)C1CCN(Cc2ccccc2O)CC1 ZINC000271357529 391293855 /nfs/dbraw/zinc/29/38/55/391293855.db2.gz MOGMZMIFSXQULD-UHFFFAOYSA-N 2 1 278.396 1.671 20 10 CDCDMP C[N@H+](CCCO)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000271357529 391293860 /nfs/dbraw/zinc/29/38/60/391293860.db2.gz MOGMZMIFSXQULD-UHFFFAOYSA-N 2 1 278.396 1.671 20 10 CDCDMP C[N@@H+](CCCO)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000271357529 391293864 /nfs/dbraw/zinc/29/38/64/391293864.db2.gz MOGMZMIFSXQULD-UHFFFAOYSA-N 2 1 278.396 1.671 20 10 CDCDMP C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000841100537 618682534 /nfs/dbraw/zinc/68/25/34/618682534.db2.gz HCLNCBUIHSIMGI-ZYHUDNBSSA-N 2 1 252.333 1.948 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000841100537 618682537 /nfs/dbraw/zinc/68/25/37/618682537.db2.gz HCLNCBUIHSIMGI-ZYHUDNBSSA-N 2 1 252.333 1.948 20 10 CDCDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843129991 618694391 /nfs/dbraw/zinc/69/43/91/618694391.db2.gz WIBRDMHGHYFHOL-HUUCEWRRSA-N 2 1 290.455 1.654 20 10 CDCDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841073419 624974816 /nfs/dbraw/zinc/97/48/16/624974816.db2.gz WYDABHJARWYIDV-ZDUSSCGKSA-N 2 1 281.375 1.489 20 10 CDCDMP COc1cc(C[N@@H+]2CCCOCC2)cc(C[NH+](C)C)c1O ZINC001139253047 936611739 /nfs/dbraw/zinc/61/17/39/936611739.db2.gz JWZONQRTUARGRY-UHFFFAOYSA-N 2 1 294.395 1.685 20 10 CDCDMP COc1cc(C[N@H+]2CCCOCC2)cc(C[NH+](C)C)c1O ZINC001139253047 936611740 /nfs/dbraw/zinc/61/17/40/936611740.db2.gz JWZONQRTUARGRY-UHFFFAOYSA-N 2 1 294.395 1.685 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@@H](OC)C2)cc(C[NH+](C)C)c1O ZINC001139253988 936611995 /nfs/dbraw/zinc/61/19/95/936611995.db2.gz AHIVVPPUBGGVGB-CQSZACIVSA-N 2 1 294.395 1.683 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(OC)c1 ZINC001206624839 940073947 /nfs/dbraw/zinc/07/39/47/940073947.db2.gz YWQXYRXOPMUEQL-GFCCVEGCSA-N 2 1 294.395 1.970 20 10 CDCDMP FC1(F)C[NH2+]C[C@@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218235262 941048247 /nfs/dbraw/zinc/04/82/47/941048247.db2.gz ALZXZWZYQUJQPM-ZDUSSCGKSA-N 2 1 283.322 1.082 20 10 CDCDMP Cc1c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235055223 944030091 /nfs/dbraw/zinc/03/00/91/944030091.db2.gz STDLXVRMHMHKRF-GOSISDBHSA-N 2 1 298.434 1.624 20 10 CDCDMP Cc1c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235055223 944030100 /nfs/dbraw/zinc/03/01/00/944030100.db2.gz STDLXVRMHMHKRF-GOSISDBHSA-N 2 1 298.434 1.624 20 10 CDCDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001254506707 947464247 /nfs/dbraw/zinc/46/42/47/947464247.db2.gz YDLDBLRMHWFMOY-GFCCVEGCSA-N 2 1 250.342 1.672 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCF)cc2F)CC1 ZINC001321299627 959704763 /nfs/dbraw/zinc/70/47/63/959704763.db2.gz ODEPDAZLMJEKQC-UHFFFAOYSA-N 2 1 269.339 1.637 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292887566 524746744 /nfs/dbraw/zinc/74/67/44/524746744.db2.gz YMYOZIKPTOKDQK-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292887566 524746756 /nfs/dbraw/zinc/74/67/56/524746756.db2.gz YMYOZIKPTOKDQK-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292887566 524746766 /nfs/dbraw/zinc/74/67/66/524746766.db2.gz YMYOZIKPTOKDQK-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000037649333 526019514 /nfs/dbraw/zinc/01/95/14/526019514.db2.gz QMTFHEACRIPGKH-LBPRGKRZSA-N 2 1 276.380 1.975 20 10 CDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)OCO2 ZINC000843128935 618693855 /nfs/dbraw/zinc/69/38/55/618693855.db2.gz ZRLQEBLDJUZNLA-ZYHUDNBSSA-N 2 1 276.336 1.305 20 10 CDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)OCO2 ZINC000843128935 618693857 /nfs/dbraw/zinc/69/38/57/618693857.db2.gz ZRLQEBLDJUZNLA-ZYHUDNBSSA-N 2 1 276.336 1.305 20 10 CDCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1O ZINC000702572720 683130598 /nfs/dbraw/zinc/13/05/98/683130598.db2.gz IKZNFFOATRQMCV-SMDDNHRTSA-N 2 1 250.342 1.109 20 10 CDCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1O ZINC000702572720 683130605 /nfs/dbraw/zinc/13/06/05/683130605.db2.gz IKZNFFOATRQMCV-SMDDNHRTSA-N 2 1 250.342 1.109 20 10 CDCDMP COc1c(O)c(C[NH2+][C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000841051746 679767016 /nfs/dbraw/zinc/76/70/16/679767016.db2.gz QYBSYEGYRILLHK-MRVPVSSYSA-N 2 1 269.301 1.136 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(O)c1 ZINC000843056916 682028037 /nfs/dbraw/zinc/02/80/37/682028037.db2.gz BUEIKXLDMCAQSZ-RYUDHWBXSA-N 2 1 264.369 1.960 20 10 CDCDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843046822 682144315 /nfs/dbraw/zinc/14/43/15/682144315.db2.gz BJZJJNSLGJHLRJ-MRXNPFEDSA-N 2 1 289.423 1.694 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000843050994 682367001 /nfs/dbraw/zinc/36/70/01/682367001.db2.gz CXMNJHCDDMFUPZ-PWSUYJOCSA-N 2 1 280.368 1.579 20 10 CDCDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1O ZINC000702636419 682378891 /nfs/dbraw/zinc/37/88/91/682378891.db2.gz MLGNNQPIQRSVOU-ZFWWWQNUSA-N 2 1 264.369 1.500 20 10 CDCDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1O ZINC000702636419 682378894 /nfs/dbraw/zinc/37/88/94/682378894.db2.gz MLGNNQPIQRSVOU-ZFWWWQNUSA-N 2 1 264.369 1.500 20 10 CDCDMP Cn1cc([C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]2N)cn1 ZINC000818431851 682630868 /nfs/dbraw/zinc/63/08/68/682630868.db2.gz VFXRFHRTAVOCBX-UONOGXRCSA-N 2 1 272.352 1.052 20 10 CDCDMP Cn1cc([C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2N)cn1 ZINC000818431851 682630869 /nfs/dbraw/zinc/63/08/69/682630869.db2.gz VFXRFHRTAVOCBX-UONOGXRCSA-N 2 1 272.352 1.052 20 10 CDCDMP C[NH+]1CCC(CCO)([NH2+]Cc2ccccc2O)CC1 ZINC000779511987 682642399 /nfs/dbraw/zinc/64/23/99/682642399.db2.gz VWFNEUOFQUFYJW-UHFFFAOYSA-N 2 1 264.369 1.329 20 10 CDCDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C)cc1O ZINC000794815302 682779920 /nfs/dbraw/zinc/77/99/20/682779920.db2.gz OMTOEMYNVMPVGE-GOEBONIOSA-N 2 1 278.396 1.808 20 10 CDCDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000794815302 682779926 /nfs/dbraw/zinc/77/99/26/682779926.db2.gz OMTOEMYNVMPVGE-GOEBONIOSA-N 2 1 278.396 1.808 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000843116248 682801785 /nfs/dbraw/zinc/80/17/85/682801785.db2.gz KAZPMHHCGGMJDS-HNNXBMFYSA-N 2 1 264.369 1.962 20 10 CDCDMP Cc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923378986 683388747 /nfs/dbraw/zinc/38/87/47/683388747.db2.gz MRSBZJIIABIGHE-HNNXBMFYSA-N 2 1 277.412 1.611 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070169514 683416177 /nfs/dbraw/zinc/41/61/77/683416177.db2.gz MQTSYJNDOANOQY-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1O ZINC000310989446 684108742 /nfs/dbraw/zinc/10/87/42/684108742.db2.gz HKNBVBFOEXZBSV-CQSZACIVSA-N 2 1 250.342 1.572 20 10 CDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204273786 939750248 /nfs/dbraw/zinc/75/02/48/939750248.db2.gz VACXRBUYRPYLEB-YPMHNXCESA-N 2 1 262.353 1.481 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204273786 939750250 /nfs/dbraw/zinc/75/02/50/939750250.db2.gz VACXRBUYRPYLEB-YPMHNXCESA-N 2 1 262.353 1.481 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204273786 939750254 /nfs/dbraw/zinc/75/02/54/939750254.db2.gz VACXRBUYRPYLEB-YPMHNXCESA-N 2 1 262.353 1.481 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(O)cc1O ZINC001206012131 939967758 /nfs/dbraw/zinc/96/77/58/939967758.db2.gz JCEHAPKPIDPMNM-RYUDHWBXSA-N 2 1 294.395 1.913 20 10 CDCDMP Oc1cc2c(cc1O)C[N@@H+](CC1CC[NH2+]CC1)CCC2 ZINC001207440694 940196562 /nfs/dbraw/zinc/19/65/62/940196562.db2.gz DGHAGDCFMXPZNC-UHFFFAOYSA-N 2 1 276.380 1.846 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001232840932 943417159 /nfs/dbraw/zinc/41/71/59/943417159.db2.gz NFTXMEHMFITFOR-KRWDZBQOSA-N 2 1 289.423 1.986 20 10 CDCDMP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001232840932 943417162 /nfs/dbraw/zinc/41/71/62/943417162.db2.gz NFTXMEHMFITFOR-KRWDZBQOSA-N 2 1 289.423 1.986 20 10 CDCDMP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001232840932 943417164 /nfs/dbraw/zinc/41/71/64/943417164.db2.gz NFTXMEHMFITFOR-KRWDZBQOSA-N 2 1 289.423 1.986 20 10 CDCDMP CCc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234992876 944001238 /nfs/dbraw/zinc/00/12/38/944001238.db2.gz TZZJAFUAPCBRAQ-MRXNPFEDSA-N 2 1 275.396 1.092 20 10 CDCDMP Oc1cc2ccccc2cc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235062040 944035249 /nfs/dbraw/zinc/03/52/49/944035249.db2.gz NUQJQBBMFUTGBN-SFHVURJKSA-N 2 1 297.402 1.683 20 10 CDCDMP Oc1c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)ccc2ccccc21 ZINC001235060577 944035419 /nfs/dbraw/zinc/03/54/19/944035419.db2.gz GNYYYULHINTJOK-SFHVURJKSA-N 2 1 297.402 1.683 20 10 CDCDMP Cc1cccc(O)c1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236000519 944368319 /nfs/dbraw/zinc/36/83/19/944368319.db2.gz WBMDLQMYIAXLSJ-ODOQXGPZSA-N 2 1 262.353 1.106 20 10 CDCDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173490537 391108034 /nfs/dbraw/zinc/10/80/34/391108034.db2.gz JWUUOZRCRNVFBE-GFCCVEGCSA-N 2 1 292.379 1.895 20 10 CDCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173490537 391108037 /nfs/dbraw/zinc/10/80/37/391108037.db2.gz JWUUOZRCRNVFBE-GFCCVEGCSA-N 2 1 292.379 1.895 20 10 CDCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173490537 391108039 /nfs/dbraw/zinc/10/80/39/391108039.db2.gz JWUUOZRCRNVFBE-GFCCVEGCSA-N 2 1 292.379 1.895 20 10 CDCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173490537 391108042 /nfs/dbraw/zinc/10/80/42/391108042.db2.gz JWUUOZRCRNVFBE-GFCCVEGCSA-N 2 1 292.379 1.895 20 10 CDCDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173490522 391108230 /nfs/dbraw/zinc/10/82/30/391108230.db2.gz JWUUOZRCRNVFBE-LBPRGKRZSA-N 2 1 292.379 1.895 20 10 CDCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173490522 391108233 /nfs/dbraw/zinc/10/82/33/391108233.db2.gz JWUUOZRCRNVFBE-LBPRGKRZSA-N 2 1 292.379 1.895 20 10 CDCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173490522 391108237 /nfs/dbraw/zinc/10/82/37/391108237.db2.gz JWUUOZRCRNVFBE-LBPRGKRZSA-N 2 1 292.379 1.895 20 10 CDCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000173490522 391108240 /nfs/dbraw/zinc/10/82/40/391108240.db2.gz JWUUOZRCRNVFBE-LBPRGKRZSA-N 2 1 292.379 1.895 20 10 CDCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C[NH3+] ZINC000841094393 684369236 /nfs/dbraw/zinc/36/92/36/684369236.db2.gz XOHUMAGQJKZLDE-MRXNPFEDSA-N 2 1 277.412 1.428 20 10 CDCDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCCO1 ZINC000313345633 684525236 /nfs/dbraw/zinc/52/52/36/684525236.db2.gz RFNLDCLHYCNXBY-GFCCVEGCSA-N 2 1 254.305 1.081 20 10 CDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCCO1 ZINC000313345633 684525239 /nfs/dbraw/zinc/52/52/39/684525239.db2.gz RFNLDCLHYCNXBY-GFCCVEGCSA-N 2 1 254.305 1.081 20 10 CDCDMP C[NH2+]C[C@](C)(O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000846225350 684603467 /nfs/dbraw/zinc/60/34/67/684603467.db2.gz NCTPAJNDBNPEFS-INIZCTEOSA-N 2 1 295.427 1.034 20 10 CDCDMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000846225350 684603471 /nfs/dbraw/zinc/60/34/71/684603471.db2.gz NCTPAJNDBNPEFS-INIZCTEOSA-N 2 1 295.427 1.034 20 10 CDCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1O ZINC000702572712 684709837 /nfs/dbraw/zinc/70/98/37/684709837.db2.gz IKZNFFOATRQMCV-BXUZGUMPSA-N 2 1 250.342 1.109 20 10 CDCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1O ZINC000702572712 684709839 /nfs/dbraw/zinc/70/98/39/684709839.db2.gz IKZNFFOATRQMCV-BXUZGUMPSA-N 2 1 250.342 1.109 20 10 CDCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816570287 684901006 /nfs/dbraw/zinc/90/10/06/684901006.db2.gz PFZJDKSCRQCEKS-KRWDZBQOSA-N 2 1 286.375 1.702 20 10 CDCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816570287 684901012 /nfs/dbraw/zinc/90/10/12/684901012.db2.gz PFZJDKSCRQCEKS-KRWDZBQOSA-N 2 1 286.375 1.702 20 10 CDCDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C[NH3+] ZINC000817864846 685827267 /nfs/dbraw/zinc/82/72/67/685827267.db2.gz DVDKCQBQSNGVOB-NQBHXWOUSA-N 2 1 292.379 1.926 20 10 CDCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000702638384 685929588 /nfs/dbraw/zinc/92/95/88/685929588.db2.gz YGSQJPZWHCTZDJ-SWLSCSKDSA-N 2 1 264.369 1.418 20 10 CDCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000702638384 685929596 /nfs/dbraw/zinc/92/95/96/685929596.db2.gz YGSQJPZWHCTZDJ-SWLSCSKDSA-N 2 1 264.369 1.418 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c1 ZINC000925737460 685967798 /nfs/dbraw/zinc/96/77/98/685967798.db2.gz IWDFTRWWGOWOCO-SNVBAGLBSA-N 2 1 280.368 1.957 20 10 CDCDMP CC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)CC[C@H]1[NH3+] ZINC000843053711 686029680 /nfs/dbraw/zinc/02/96/80/686029680.db2.gz SHPGNWWBJUWLTO-DGCLKSJQSA-N 2 1 264.369 1.960 20 10 CDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)(C)[NH3+] ZINC000843060877 687471734 /nfs/dbraw/zinc/47/17/34/687471734.db2.gz QKUZKRKENVUJHM-UHFFFAOYSA-N 2 1 277.412 1.692 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)(C)[NH3+] ZINC000843060877 687471741 /nfs/dbraw/zinc/47/17/41/687471741.db2.gz QKUZKRKENVUJHM-UHFFFAOYSA-N 2 1 277.412 1.692 20 10 CDCDMP Cc1cc(O)c(C[N@H+](CCO)C2CCN(C)CC2)cc1C ZINC000305180528 687985031 /nfs/dbraw/zinc/98/50/31/687985031.db2.gz HHRZXBOPIQTQIT-UHFFFAOYSA-N 2 1 292.423 1.898 20 10 CDCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000717354928 688175655 /nfs/dbraw/zinc/17/56/55/688175655.db2.gz RNCIQEAZWWPKFZ-NWDGAFQWSA-N 2 1 252.358 1.274 20 10 CDCDMP Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580887920 1172564581 /nfs/dbraw/zinc/56/45/81/1172564581.db2.gz BBBRNVNWPQXCQK-JTQLQIEISA-N 2 1 284.306 1.281 20 10 CDCDMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162867 936823599 /nfs/dbraw/zinc/82/35/99/936823599.db2.gz IMNRWMPVGZIQOO-STQMWFEESA-N 2 1 262.353 1.481 20 10 CDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205109182 939822901 /nfs/dbraw/zinc/82/29/01/939822901.db2.gz CANOISCHVCNHFC-VIFPVBQESA-N 2 1 252.314 1.117 20 10 CDCDMP COc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205664395 939913446 /nfs/dbraw/zinc/91/34/46/939913446.db2.gz NAGNNDDUWUVGMV-HNNXBMFYSA-N 2 1 280.368 1.077 20 10 CDCDMP COc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1O ZINC000312070491 941340871 /nfs/dbraw/zinc/34/08/71/941340871.db2.gz NGSNWXISEBGPEY-LBPRGKRZSA-N 2 1 264.369 1.962 20 10 CDCDMP Oc1cc2ccccc2cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234992044 944001940 /nfs/dbraw/zinc/00/19/40/944001940.db2.gz RVFVJOFEOPUNLF-SFHVURJKSA-N 2 1 297.402 1.683 20 10 CDCDMP CN1CCC([N@@H+](CCO)Cc2ccccc2O)CC1 ZINC000269364337 364185472 /nfs/dbraw/zinc/18/54/72/364185472.db2.gz PZLXULWLYMLGCU-UHFFFAOYSA-N 2 1 264.369 1.281 20 10 CDCDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC000194537335 391361846 /nfs/dbraw/zinc/36/18/46/391361846.db2.gz VWLBEOMZILCQOR-TXEJJXNPSA-N 2 1 250.317 1.525 20 10 CDCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC000194537335 391361852 /nfs/dbraw/zinc/36/18/52/391361852.db2.gz VWLBEOMZILCQOR-TXEJJXNPSA-N 2 1 250.317 1.525 20 10 CDCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC000194537335 391361855 /nfs/dbraw/zinc/36/18/55/391361855.db2.gz VWLBEOMZILCQOR-TXEJJXNPSA-N 2 1 250.317 1.525 20 10 CDCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC000194537335 391361859 /nfs/dbraw/zinc/36/18/59/391361859.db2.gz VWLBEOMZILCQOR-TXEJJXNPSA-N 2 1 250.317 1.525 20 10 CDCDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768448671 576284866 /nfs/dbraw/zinc/28/48/66/576284866.db2.gz WDCNPTTUZIFLJZ-XHDPSFHLSA-N 2 1 292.379 1.202 20 10 CDCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768448671 576284867 /nfs/dbraw/zinc/28/48/67/576284867.db2.gz WDCNPTTUZIFLJZ-XHDPSFHLSA-N 2 1 292.379 1.202 20 10 CDCDMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)c(O)c1OC ZINC000892757892 617707935 /nfs/dbraw/zinc/70/79/35/617707935.db2.gz LFCUFXXGDUVOTC-UHFFFAOYSA-N 2 1 291.351 1.704 20 10 CDCDMP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1OC ZINC000894084534 618347941 /nfs/dbraw/zinc/34/79/41/618347941.db2.gz UOHNRPDPPOOTIK-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1OC ZINC000894084534 618347952 /nfs/dbraw/zinc/34/79/52/618347952.db2.gz UOHNRPDPPOOTIK-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)c1OC ZINC000894084534 618347963 /nfs/dbraw/zinc/34/79/63/618347963.db2.gz UOHNRPDPPOOTIK-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c1OC ZINC000894084534 618347971 /nfs/dbraw/zinc/34/79/71/618347971.db2.gz UOHNRPDPPOOTIK-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1c(O)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000843056949 618691012 /nfs/dbraw/zinc/69/10/12/618691012.db2.gz DCSRJWJQSMDUFD-NXEZZACHSA-N 2 1 295.339 1.478 20 10 CDCDMP COc1c(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000843056949 618691014 /nfs/dbraw/zinc/69/10/14/618691014.db2.gz DCSRJWJQSMDUFD-NXEZZACHSA-N 2 1 295.339 1.478 20 10 CDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC12CCOCC2 ZINC000843124657 688453884 /nfs/dbraw/zinc/45/38/84/688453884.db2.gz FCCXPZTVCQFPES-CYBMUJFWSA-N 2 1 294.370 1.719 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000843052439 688854916 /nfs/dbraw/zinc/85/49/16/688854916.db2.gz UDJWKNBGRRPBPM-BXUZGUMPSA-N 2 1 264.369 1.960 20 10 CDCDMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(O)c1 ZINC000843047877 692232983 /nfs/dbraw/zinc/23/29/83/692232983.db2.gz ZSUCTHKZZMTIOS-LBPRGKRZSA-N 2 1 264.369 1.962 20 10 CDCDMP CO[C@H](C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809717617 694644894 /nfs/dbraw/zinc/64/48/94/694644894.db2.gz KZNOLFGUMKPMJE-OAHLLOKOSA-N 2 1 291.439 1.905 20 10 CDCDMP C[NH2+]CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817942270 694801471 /nfs/dbraw/zinc/80/14/71/694801471.db2.gz ZSGOIUYVBPUFMN-SNVBAGLBSA-N 2 1 266.341 1.439 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](F)C3)cc2)CC1 ZINC000824570285 694859268 /nfs/dbraw/zinc/85/92/68/694859268.db2.gz AULFPXXJOBGUOV-OAHLLOKOSA-N 2 1 277.387 1.982 20 10 CDCDMP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981041 694882829 /nfs/dbraw/zinc/88/28/29/694882829.db2.gz XTQKXNWQHHJULL-GUYCJALGSA-N 2 1 291.439 1.858 20 10 CDCDMP COC[C@@]1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000817974195 723285857 /nfs/dbraw/zinc/28/58/57/723285857.db2.gz JDRCWKBLFUYMTL-WBMJQRKESA-N 2 1 294.395 1.820 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000843047518 723636999 /nfs/dbraw/zinc/63/69/99/723636999.db2.gz RVGVQDWZNXWFGV-NSHDSACASA-N 2 1 280.368 1.580 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000843047517 723665117 /nfs/dbraw/zinc/66/51/17/723665117.db2.gz RVGVQDWZNXWFGV-LLVKDONJSA-N 2 1 280.368 1.580 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252877061 723650297 /nfs/dbraw/zinc/65/02/97/723650297.db2.gz WNWKOKDBTLKUQM-TUKIKUTGSA-N 2 1 276.380 1.960 20 10 CDCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205570301 922716629 /nfs/dbraw/zinc/71/66/29/922716629.db2.gz IDFZNOODWIUCIS-AWEZNQCLSA-N 2 1 284.331 1.456 20 10 CDCDMP Nc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC001120371230 937796424 /nfs/dbraw/zinc/79/64/24/937796424.db2.gz CJVPZPKMHKLPHR-OAHLLOKOSA-N 2 1 286.383 1.156 20 10 CDCDMP Cc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)ccc1N(C)C ZINC001205681761 939917733 /nfs/dbraw/zinc/91/77/33/939917733.db2.gz NMOGEHVLSYASAZ-KRWDZBQOSA-N 2 1 291.439 1.737 20 10 CDCDMP [NH3+]C[C@@H]1CN(Cc2c([O-])cccc2F)CCC1(F)F ZINC001205762819 939933211 /nfs/dbraw/zinc/93/32/11/939933211.db2.gz NPRGTYJGLGIFHY-SECBINFHSA-N 2 1 274.286 1.947 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC001206519100 940053415 /nfs/dbraw/zinc/05/34/15/940053415.db2.gz INRAGBOFAYNRON-RDJZCZTQSA-N 2 1 289.423 1.428 20 10 CDCDMP Oc1cc(Cl)ccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502276 941604121 /nfs/dbraw/zinc/60/41/21/941604121.db2.gz IDCQFEMGGPJUJV-KBPBESRZSA-N 2 1 295.814 1.571 20 10 CDCDMP [NH3+]CC1(F)CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001222548672 941612907 /nfs/dbraw/zinc/61/29/07/941612907.db2.gz XVACOJRGAXLPCF-UHFFFAOYSA-N 2 1 270.304 1.066 20 10 CDCDMP Cc1cc(Cl)cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1O ZINC001234994168 944001540 /nfs/dbraw/zinc/00/15/40/944001540.db2.gz PWAMAIOWQDJXGF-HNNXBMFYSA-N 2 1 295.814 1.491 20 10 CDCDMP Nc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235410681 944147280 /nfs/dbraw/zinc/14/72/80/944147280.db2.gz YDZSKUBGPDHECA-CABCVRRESA-N 2 1 263.360 1.792 20 10 CDCDMP COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988911 944351765 /nfs/dbraw/zinc/35/17/65/944351765.db2.gz IUPBXRATRGZEJD-ABAIWWIYSA-N 2 1 262.353 1.632 20 10 CDCDMP COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988911 944351768 /nfs/dbraw/zinc/35/17/68/944351768.db2.gz IUPBXRATRGZEJD-ABAIWWIYSA-N 2 1 262.353 1.632 20 10 CDCDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(N2CCCC2)cc1 ZINC001331846351 957296850 /nfs/dbraw/zinc/29/68/50/957296850.db2.gz FNBNUIRYTWEOAZ-UHFFFAOYSA-N 2 1 277.412 1.694 20 10 CDCDMP C[N@@H+](Cc1ccccc1O)C[C@@H](O)C[NH+]1CCCC1 ZINC000749297047 574534555 /nfs/dbraw/zinc/53/45/55/574534555.db2.gz JVJORLPSKRAJFQ-CQSZACIVSA-N 2 1 264.369 1.281 20 10 CDCDMP C[N@H+](Cc1ccccc1O)C[C@@H](O)C[NH+]1CCCC1 ZINC000749297047 574534556 /nfs/dbraw/zinc/53/45/56/574534556.db2.gz JVJORLPSKRAJFQ-CQSZACIVSA-N 2 1 264.369 1.281 20 10 CDCDMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc2c(cc1O)CCCC2 ZINC000756554566 576995430 /nfs/dbraw/zinc/99/54/30/576995430.db2.gz IIPNLLLUEPQFPK-WFASDCNBSA-N 2 1 292.423 1.844 20 10 CDCDMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(O)c1OC ZINC000892033833 617427216 /nfs/dbraw/zinc/42/72/16/617427216.db2.gz INWXWQMDPFVULB-LBPRGKRZSA-N 2 1 294.395 1.793 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(O)c1OC ZINC000892033833 617427217 /nfs/dbraw/zinc/42/72/17/617427217.db2.gz INWXWQMDPFVULB-LBPRGKRZSA-N 2 1 294.395 1.793 20 10 CDCDMP COC[C@]1(C[NH2+]Cc2cccc(C)c2O)CCC[NH2+]1 ZINC000841066948 618680086 /nfs/dbraw/zinc/68/00/86/618680086.db2.gz HDCWECWOHHAJOU-OAHLLOKOSA-N 2 1 264.369 1.559 20 10 CDCDMP [NH3+]CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841018704 695234300 /nfs/dbraw/zinc/23/43/00/695234300.db2.gz OUALEVMZZWEMJP-CQSZACIVSA-N 2 1 264.369 1.722 20 10 CDCDMP CC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)CC[C@H]1[NH3+] ZINC000251879142 695347574 /nfs/dbraw/zinc/34/75/74/695347574.db2.gz VBMWMOFDSJSMRZ-BXUZGUMPSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1O ZINC000841087637 695364648 /nfs/dbraw/zinc/36/46/48/695364648.db2.gz OOKNIZCFLQPIDY-LBPRGKRZSA-N 2 1 252.358 1.864 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313354581 695556203 /nfs/dbraw/zinc/55/62/03/695556203.db2.gz OOESCIJVSANAJZ-CYBMUJFWSA-N 2 1 250.342 1.250 20 10 CDCDMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1O ZINC000717355552 695878247 /nfs/dbraw/zinc/87/82/47/695878247.db2.gz VJEZKOXBXKKGOW-AAEUAGOBSA-N 2 1 252.358 1.355 20 10 CDCDMP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817945047 723750092 /nfs/dbraw/zinc/75/00/92/723750092.db2.gz SCOLEXYJONDUJK-LLVKDONJSA-N 2 1 267.348 1.087 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000215995161 723782450 /nfs/dbraw/zinc/78/24/50/723782450.db2.gz YYZWETPHPQILNP-MNOVXSKESA-N 2 1 250.342 1.570 20 10 CDCDMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(F)ccc1O ZINC000817981288 723790036 /nfs/dbraw/zinc/79/00/36/723790036.db2.gz IKLSAESWJCZRQO-ZYHUDNBSSA-N 2 1 268.332 1.560 20 10 CDCDMP Cc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)ccc1N(C)C ZINC000923286232 724107814 /nfs/dbraw/zinc/10/78/14/724107814.db2.gz LNBMMSXCYLSXFZ-UHFFFAOYSA-N 2 1 290.455 1.398 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000846704192 723975620 /nfs/dbraw/zinc/97/56/20/723975620.db2.gz SEBVHONTJIRYEI-ZYHUDNBSSA-N 2 1 280.368 1.721 20 10 CDCDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000841051046 724037641 /nfs/dbraw/zinc/03/76/41/724037641.db2.gz MZQSHLUHUKSIIE-UHFFFAOYSA-N 2 1 293.386 1.633 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000840930883 725150437 /nfs/dbraw/zinc/15/04/37/725150437.db2.gz PRIHSQUQQADEIQ-KRWDZBQOSA-N 2 1 291.439 1.607 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000300434928 725406100 /nfs/dbraw/zinc/40/61/00/725406100.db2.gz BGWJHDNBAUKQKF-CMPLNLGQSA-N 2 1 252.333 1.948 20 10 CDCDMP C[NH2+]CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843356447 725443599 /nfs/dbraw/zinc/44/35/99/725443599.db2.gz PYAUOFIPXIIREW-HNNXBMFYSA-N 2 1 278.396 1.983 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OC ZINC000841086978 725907781 /nfs/dbraw/zinc/90/77/81/725907781.db2.gz GSXLRKITYPFUEU-AWEZNQCLSA-N 2 1 282.384 1.872 20 10 CDCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC000311079223 899319168 /nfs/dbraw/zinc/31/91/68/899319168.db2.gz WIPCHXBAQONXKP-LBPRGKRZSA-N 2 1 250.342 1.659 20 10 CDCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205280752 918638351 /nfs/dbraw/zinc/63/83/51/918638351.db2.gz HVURDGDPTUOMJJ-CQSZACIVSA-N 2 1 266.341 1.507 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205240484 919363051 /nfs/dbraw/zinc/36/30/51/919363051.db2.gz LENYLLJPMHXIEW-INIZCTEOSA-N 2 1 293.411 1.134 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001169078766 927707034 /nfs/dbraw/zinc/70/70/34/927707034.db2.gz GGWDXDPXNZGGRH-NFFDBFGFSA-N 2 1 292.379 1.346 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC[C@H]1C[NH3+] ZINC001206012959 939967355 /nfs/dbraw/zinc/96/73/55/939967355.db2.gz OJTXOBQMIAPFKZ-MNOVXSKESA-N 2 1 280.368 1.610 20 10 CDCDMP CN1CCOc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206175212 939991229 /nfs/dbraw/zinc/99/12/29/939991229.db2.gz SJMKLRXWCUKXKS-UONOGXRCSA-N 2 1 293.386 1.776 20 10 CDCDMP Nc1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023766 944014626 /nfs/dbraw/zinc/01/46/26/944014626.db2.gz WYIFIZFGXPLJEW-INIZCTEOSA-N 2 1 275.396 1.471 20 10 CDCDMP Nc1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023766 944014633 /nfs/dbraw/zinc/01/46/33/944014633.db2.gz WYIFIZFGXPLJEW-INIZCTEOSA-N 2 1 275.396 1.471 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237383464 944741155 /nfs/dbraw/zinc/74/11/55/944741155.db2.gz PFWRZCSEBFGZLH-DOMZBBRYSA-N 2 1 276.380 1.975 20 10 CDCDMP COc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000194538973 391361172 /nfs/dbraw/zinc/36/11/72/391361172.db2.gz RATNEPNJTIXJID-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000194538973 391361175 /nfs/dbraw/zinc/36/11/75/391361175.db2.gz RATNEPNJTIXJID-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OC ZINC000194538973 391361177 /nfs/dbraw/zinc/36/11/77/391361177.db2.gz RATNEPNJTIXJID-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OC ZINC000194538973 391361183 /nfs/dbraw/zinc/36/11/83/391361183.db2.gz RATNEPNJTIXJID-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP CC[NH+]1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000038097915 174111945 /nfs/dbraw/zinc/11/19/45/174111945.db2.gz HWJANMJBGNLLKD-UHFFFAOYSA-N 2 1 264.369 1.975 20 10 CDCDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841104989 618683285 /nfs/dbraw/zinc/68/32/85/618683285.db2.gz YBZLDDJWZGRZQH-UHFFFAOYSA-N 3 1 290.455 1.480 20 10 CDCDMP C[NH2+]CCCN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841104989 618683286 /nfs/dbraw/zinc/68/32/86/618683286.db2.gz YBZLDDJWZGRZQH-UHFFFAOYSA-N 2 1 290.455 1.480 20 10 CDCDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000904406116 626282918 /nfs/dbraw/zinc/28/29/18/626282918.db2.gz PRDAALHIWSYXRU-SNVBAGLBSA-N 2 1 264.325 1.292 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044527991 630548962 /nfs/dbraw/zinc/54/89/62/630548962.db2.gz ADERXPHJZXENHQ-NSHDSACASA-N 2 1 250.342 1.572 20 10 CDCDMP COc1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000019505156 1172114552 /nfs/dbraw/zinc/11/45/52/1172114552.db2.gz MTVIXVMVXRKZNV-HNNXBMFYSA-N 2 1 289.423 1.817 20 10 CDCDMP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817935607 726194261 /nfs/dbraw/zinc/19/42/61/726194261.db2.gz KARMZMTVZNHZAU-OAHLLOKOSA-N 2 1 295.402 1.867 20 10 CDCDMP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000386753993 727343578 /nfs/dbraw/zinc/34/35/78/727343578.db2.gz FAAGUCOJEFLZBH-RRFJBIMHSA-N 2 1 288.391 1.832 20 10 CDCDMP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC000386753993 727343583 /nfs/dbraw/zinc/34/35/83/727343583.db2.gz FAAGUCOJEFLZBH-RRFJBIMHSA-N 2 1 288.391 1.832 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000843125044 727386484 /nfs/dbraw/zinc/38/64/84/727386484.db2.gz MBFOLMYLNZHUAS-OAHLLOKOSA-N 2 1 290.407 1.888 20 10 CDCDMP [NH3+]CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841018703 728353201 /nfs/dbraw/zinc/35/32/01/728353201.db2.gz OUALEVMZZWEMJP-AWEZNQCLSA-N 2 1 264.369 1.722 20 10 CDCDMP CN(C)c1ccc(C[NH2+]CC2([NH3+])CCC2)cc1F ZINC000841050456 728371445 /nfs/dbraw/zinc/37/14/45/728371445.db2.gz FTMQJYCVMYZCAK-UHFFFAOYSA-N 2 1 251.349 1.863 20 10 CDCDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)CC[C@H]1F ZINC001206152806 911053898 /nfs/dbraw/zinc/05/38/98/911053898.db2.gz AZPJQEICVYISHW-MNOVXSKESA-N 2 1 254.305 1.359 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CC[C@H]1F ZINC001206152806 911053916 /nfs/dbraw/zinc/05/39/16/911053916.db2.gz AZPJQEICVYISHW-MNOVXSKESA-N 2 1 254.305 1.359 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1F ZINC001206173664 911842894 /nfs/dbraw/zinc/84/28/94/911842894.db2.gz JIRIGVLTIJVOFQ-VXGBXAGGSA-N 2 1 256.296 1.793 20 10 CDCDMP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc(O)c1O ZINC001205263818 918432013 /nfs/dbraw/zinc/43/20/13/918432013.db2.gz CNLIQVOZYVEKAL-HNNXBMFYSA-N 2 1 280.368 1.810 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc(O)c1O ZINC001205263818 918432016 /nfs/dbraw/zinc/43/20/16/918432016.db2.gz CNLIQVOZYVEKAL-HNNXBMFYSA-N 2 1 280.368 1.810 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1OC ZINC001206641450 937287862 /nfs/dbraw/zinc/28/78/62/937287862.db2.gz XNHWYJSXRZGXFT-LBPRGKRZSA-N 2 1 294.395 1.970 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205209479 939835373 /nfs/dbraw/zinc/83/53/73/939835373.db2.gz JUKFEGQWHMYZTO-HNNXBMFYSA-N 2 1 280.368 1.077 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)CC[C@@H]1C[NH3+] ZINC001205601412 939907328 /nfs/dbraw/zinc/90/73/28/939907328.db2.gz FGCPVSZWTVNQTE-VXGBXAGGSA-N 2 1 264.369 1.905 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205682746 939917654 /nfs/dbraw/zinc/91/76/54/939917654.db2.gz UFAYWWXMUYEYRN-HNNXBMFYSA-N 2 1 264.369 1.376 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(O)ccc2O)CC[C@H]1F ZINC001206175254 939990275 /nfs/dbraw/zinc/99/02/75/939990275.db2.gz TWBJJYCFKWMROV-NEPJUHHUSA-N 2 1 254.305 1.359 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206197898 939996426 /nfs/dbraw/zinc/99/64/26/939996426.db2.gz KFJHVVSLZMQORV-UONOGXRCSA-N 2 1 282.359 1.970 20 10 CDCDMP Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001206464634 940043488 /nfs/dbraw/zinc/04/34/88/940043488.db2.gz RJCOVAQAPLRLAI-FUHWJXTLSA-N 2 1 299.418 1.846 20 10 CDCDMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@H]2C1 ZINC001233487845 943595020 /nfs/dbraw/zinc/59/50/20/943595020.db2.gz UTUZXWCOJUDUFT-VXGBXAGGSA-N 2 1 278.352 1.187 20 10 CDCDMP Oc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237402052 944756628 /nfs/dbraw/zinc/75/66/28/944756628.db2.gz GHOBVFCAYPEUGJ-GXFFZTMASA-N 2 1 278.352 1.377 20 10 CDCDMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001331419823 957040283 /nfs/dbraw/zinc/04/02/83/957040283.db2.gz SCOCCYCJHJVWTN-SECBINFHSA-N 2 1 283.328 1.254 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000769403915 576352080 /nfs/dbraw/zinc/35/20/80/576352080.db2.gz JSKDVANNAIHODQ-LBPRGKRZSA-N 2 1 264.369 1.784 20 10 CDCDMP Cc1cc(O)c(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1C ZINC000841101504 618682873 /nfs/dbraw/zinc/68/28/73/618682873.db2.gz WGOOJFZFFTYSSY-CQSZACIVSA-N 2 1 264.369 1.559 20 10 CDCDMP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817946466 729031032 /nfs/dbraw/zinc/03/10/32/729031032.db2.gz XWEZIUIFKQRBEL-ZDUSSCGKSA-N 2 1 295.358 1.004 20 10 CDCDMP COc1cc(Cl)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1O ZINC000841048612 729828935 /nfs/dbraw/zinc/82/89/35/729828935.db2.gz FROAALFGLQZRCV-LLVKDONJSA-N 2 1 270.760 1.881 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000876966916 729928067 /nfs/dbraw/zinc/92/80/67/729928067.db2.gz ZEPZLDAYUVVWBW-UHFFFAOYSA-N 2 1 278.396 1.637 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000846704187 729970079 /nfs/dbraw/zinc/97/00/79/729970079.db2.gz SEBVHONTJIRYEI-CMPLNLGQSA-N 2 1 280.368 1.721 20 10 CDCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226608077 730387194 /nfs/dbraw/zinc/38/71/94/730387194.db2.gz LCNHOSWJRLKLPS-NSHDSACASA-N 2 1 252.333 1.963 20 10 CDCDMP COCC[N@H+](Cc1ccc(O)c(O)c1)C1CCN(C)CC1 ZINC001203878732 939711073 /nfs/dbraw/zinc/71/10/73/939711073.db2.gz KSEZXHIBAWLFEG-UHFFFAOYSA-N 2 1 294.395 1.640 20 10 CDCDMP Cc1ccc(C)c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222502927 941604640 /nfs/dbraw/zinc/60/46/40/941604640.db2.gz WXLVSSRWRJIOHI-HOTGVXAUSA-N 2 1 289.423 1.535 20 10 CDCDMP Cc1ccc(C)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235054407 944029418 /nfs/dbraw/zinc/02/94/18/944029418.db2.gz NIZQQEXENHPRGC-MRXNPFEDSA-N 2 1 275.396 1.146 20 10 CDCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC001320514176 959216431 /nfs/dbraw/zinc/21/64/31/959216431.db2.gz OSSWJTQQXMPPEV-IIYDPXPESA-N 2 1 290.407 1.905 20 10 CDCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC001320514176 959216447 /nfs/dbraw/zinc/21/64/47/959216447.db2.gz OSSWJTQQXMPPEV-IIYDPXPESA-N 2 1 290.407 1.905 20 10 CDCDMP COc1c(O)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057109 618691360 /nfs/dbraw/zinc/69/13/60/618691360.db2.gz BEYFKKPAIHRKSQ-NXEZZACHSA-N 2 1 295.339 1.478 20 10 CDCDMP COc1c(O)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057109 618691361 /nfs/dbraw/zinc/69/13/61/618691361.db2.gz BEYFKKPAIHRKSQ-NXEZZACHSA-N 2 1 295.339 1.478 20 10 CDCDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843057010 618691425 /nfs/dbraw/zinc/69/14/25/618691425.db2.gz FERAKTLXGSZXRH-NXEZZACHSA-N 2 1 264.325 1.290 20 10 CDCDMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000841072265 624420635 /nfs/dbraw/zinc/42/06/35/624420635.db2.gz MXYAVCYNQNRSQT-SNVBAGLBSA-N 2 1 258.749 1.881 20 10 CDCDMP COCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000058115118 1167208389 /nfs/dbraw/zinc/20/83/89/1167208389.db2.gz LCEPLPZWHSFDIP-UHFFFAOYSA-N 2 1 281.375 1.314 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000126904576 730966881 /nfs/dbraw/zinc/96/68/81/730966881.db2.gz SIDALCANVWGRMT-GHMZBOCLSA-N 2 1 250.342 1.570 20 10 CDCDMP COC[C@H]1CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816636921 731346345 /nfs/dbraw/zinc/34/63/45/731346345.db2.gz LXBXFNPETDXPCW-QGZVFWFLSA-N 2 1 289.423 1.659 20 10 CDCDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843125277 731421642 /nfs/dbraw/zinc/42/16/42/731421642.db2.gz QQKGSJZDUCGVHQ-ZBFHGGJFSA-N 2 1 294.370 1.860 20 10 CDCDMP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817945048 731849746 /nfs/dbraw/zinc/84/97/46/731849746.db2.gz SCOLEXYJONDUJK-NSHDSACASA-N 2 1 267.348 1.087 20 10 CDCDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846699520 732108346 /nfs/dbraw/zinc/10/83/46/732108346.db2.gz UCJNJBZCZOAQCY-MWLCHTKSSA-N 2 1 264.325 1.433 20 10 CDCDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846699520 732108357 /nfs/dbraw/zinc/10/83/57/732108357.db2.gz UCJNJBZCZOAQCY-MWLCHTKSSA-N 2 1 264.325 1.433 20 10 CDCDMP COc1ccc(O)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000211503620 732171478 /nfs/dbraw/zinc/17/14/78/732171478.db2.gz WUPYPXAJCYPGLA-UHFFFAOYSA-N 2 1 252.358 1.784 20 10 CDCDMP COc1ccc(O)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000211503620 732171485 /nfs/dbraw/zinc/17/14/85/732171485.db2.gz WUPYPXAJCYPGLA-UHFFFAOYSA-N 2 1 252.358 1.784 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000386444508 732530242 /nfs/dbraw/zinc/53/02/42/732530242.db2.gz QKSUJMXRWXIXSW-CQSZACIVSA-N 2 1 250.342 1.572 20 10 CDCDMP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125045 732840911 /nfs/dbraw/zinc/84/09/11/732840911.db2.gz MCWHSQYXBDDVDA-HNNXBMFYSA-N 2 1 290.407 1.888 20 10 CDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205102921 913562692 /nfs/dbraw/zinc/56/26/92/913562692.db2.gz WJMYZKPRERZITM-MRXNPFEDSA-N 2 1 289.423 1.836 20 10 CDCDMP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205932571 926461160 /nfs/dbraw/zinc/46/11/60/926461160.db2.gz RTCSUFADDZFRHN-MRXNPFEDSA-N 3 1 288.439 1.409 20 10 CDCDMP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205932571 926461164 /nfs/dbraw/zinc/46/11/64/926461164.db2.gz RTCSUFADDZFRHN-MRXNPFEDSA-N 3 1 288.439 1.409 20 10 CDCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(O)c(O)c3)C[C@H]2CC1 ZINC001275821260 932064903 /nfs/dbraw/zinc/06/49/03/932064903.db2.gz MEMQEYIAICXEBH-OKILXGFUSA-N 2 1 276.380 1.871 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]2CC1 ZINC001275821260 932064907 /nfs/dbraw/zinc/06/49/07/932064907.db2.gz MEMQEYIAICXEBH-OKILXGFUSA-N 2 1 276.380 1.871 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]2CC1 ZINC001275821260 932064913 /nfs/dbraw/zinc/06/49/13/932064913.db2.gz MEMQEYIAICXEBH-OKILXGFUSA-N 2 1 276.380 1.871 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1C[NH3+] ZINC001205626326 939909955 /nfs/dbraw/zinc/90/99/55/939909955.db2.gz FTFORHVQNOWFPB-QWRGUYRKSA-N 2 1 280.368 1.610 20 10 CDCDMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872104 278260668 /nfs/dbraw/zinc/26/06/68/278260668.db2.gz VKPDAWULDYRDIF-WMLDXEAASA-N 2 1 291.439 1.860 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCNC2CC2)c1 ZINC000817953991 735773050 /nfs/dbraw/zinc/77/30/50/735773050.db2.gz UOPOXQFFYDMWLN-SNVBAGLBSA-N 2 1 250.342 1.803 20 10 CDCDMP COc1cc(O)c(C[N@H+](C)CCC[NH+](C)C)cc1OC ZINC000809729389 735875065 /nfs/dbraw/zinc/87/50/65/735875065.db2.gz GKVBDPJAFVJCMY-UHFFFAOYSA-N 2 1 282.384 1.793 20 10 CDCDMP COc1cc(O)c(C[N@@H+](C)CCC[NH+](C)C)cc1OC ZINC000809729389 735875069 /nfs/dbraw/zinc/87/50/69/735875069.db2.gz GKVBDPJAFVJCMY-UHFFFAOYSA-N 2 1 282.384 1.793 20 10 CDCDMP Oc1c(F)cccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120673 736031901 /nfs/dbraw/zinc/03/19/01/736031901.db2.gz AVDFMWPTIKNQJO-ZDUSSCGKSA-N 2 1 279.359 1.011 20 10 CDCDMP Oc1c(F)cccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120673 736031910 /nfs/dbraw/zinc/03/19/10/736031910.db2.gz AVDFMWPTIKNQJO-ZDUSSCGKSA-N 2 1 279.359 1.011 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000094339022 733382994 /nfs/dbraw/zinc/38/29/94/733382994.db2.gz NWELMVBKDFDFAQ-JQWIXIFHSA-N 2 1 250.342 1.570 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843051938 733469860 /nfs/dbraw/zinc/46/98/60/733469860.db2.gz MYFNSAYZHWWWLZ-ZYHUDNBSSA-N 2 1 250.342 1.570 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000817968945 733514941 /nfs/dbraw/zinc/51/49/41/733514941.db2.gz ZUAWJBHZRJNERJ-LLVKDONJSA-N 2 1 290.363 1.749 20 10 CDCDMP NC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841028588 733610150 /nfs/dbraw/zinc/61/01/50/733610150.db2.gz PXOWFUFIJCVUQY-OAHLLOKOSA-N 2 1 293.386 1.489 20 10 CDCDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841028588 733610153 /nfs/dbraw/zinc/61/01/53/733610153.db2.gz PXOWFUFIJCVUQY-OAHLLOKOSA-N 2 1 293.386 1.489 20 10 CDCDMP CCOCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779597725 734331969 /nfs/dbraw/zinc/33/19/69/734331969.db2.gz FOHFQEIQVNICSG-UHFFFAOYSA-N 2 1 291.439 1.907 20 10 CDCDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C)cc1O ZINC000794815306 734809742 /nfs/dbraw/zinc/80/97/42/734809742.db2.gz OMTOEMYNVMPVGE-ZBFHGGJFSA-N 2 1 278.396 1.808 20 10 CDCDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000794815306 734809746 /nfs/dbraw/zinc/80/97/46/734809746.db2.gz OMTOEMYNVMPVGE-ZBFHGGJFSA-N 2 1 278.396 1.808 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000843052444 735162428 /nfs/dbraw/zinc/16/24/28/735162428.db2.gz UDJWKNBGRRPBPM-SMDDNHRTSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cccc(O)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776259082 735181522 /nfs/dbraw/zinc/18/15/22/735181522.db2.gz ZXNNPZZMMRRIBW-UHFFFAOYSA-N 2 1 262.353 1.752 20 10 CDCDMP COC[C@H]1CC[N@@H+]1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261299 936611723 /nfs/dbraw/zinc/61/17/23/936611723.db2.gz YFDNCRXTFPYKGW-CQSZACIVSA-N 2 1 294.395 1.683 20 10 CDCDMP COC[C@H]1CC[N@H+]1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261299 936611724 /nfs/dbraw/zinc/61/17/24/936611724.db2.gz YFDNCRXTFPYKGW-CQSZACIVSA-N 2 1 294.395 1.683 20 10 CDCDMP C[NH+](C)CCCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055251 936674501 /nfs/dbraw/zinc/67/45/01/936674501.db2.gz PIYSVIDUQJSMLQ-UHFFFAOYSA-N 2 1 295.402 1.601 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc(O)c1O ZINC001205603351 923151013 /nfs/dbraw/zinc/15/10/13/923151013.db2.gz OKIXZIQASBFZBJ-DGCLKSJQSA-N 2 1 294.395 1.913 20 10 CDCDMP C[N@H+](Cc1cc(O)ccc1O)CC1CC[NH+](C)CC1 ZINC001141158619 936822589 /nfs/dbraw/zinc/82/25/89/936822589.db2.gz HEXKGTDZHLARQR-UHFFFAOYSA-N 2 1 264.369 1.871 20 10 CDCDMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162593 936823493 /nfs/dbraw/zinc/82/34/93/936823493.db2.gz WRSPDIQWWCWEOI-KBPBESRZSA-N 2 1 276.380 1.871 20 10 CDCDMP C[NH2+]CCN(C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118241919 937607150 /nfs/dbraw/zinc/60/71/50/937607150.db2.gz RVWUMLWOXGJSIY-UHFFFAOYSA-N 2 1 294.418 1.229 20 10 CDCDMP Nc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205578417 939905308 /nfs/dbraw/zinc/90/53/08/939905308.db2.gz BGBPPPLEVYSYHG-CQSZACIVSA-N 2 1 251.349 1.922 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)cc1O ZINC001206190217 939994938 /nfs/dbraw/zinc/99/49/38/939994938.db2.gz ZOGSEQTYJFFMMV-QWRGUYRKSA-N 2 1 284.331 1.368 20 10 CDCDMP Cc1cccc(O)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197691 939996624 /nfs/dbraw/zinc/99/66/24/939996624.db2.gz IZZDKQUHXGCOLA-STQMWFEESA-N 2 1 252.333 1.962 20 10 CDCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001206318730 940017246 /nfs/dbraw/zinc/01/72/46/940017246.db2.gz SYJQHYLGUWJWEZ-OAHLLOKOSA-N 2 1 280.368 1.754 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1O ZINC001206474873 940045701 /nfs/dbraw/zinc/04/57/01/940045701.db2.gz HGRQUQAZCZZMOU-BLLLJJGKSA-N 2 1 272.348 1.297 20 10 CDCDMP Oc1cc(Cl)ccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222094467 941563720 /nfs/dbraw/zinc/56/37/20/941563720.db2.gz GPWRUGNQGUQIHR-UHFFFAOYSA-N 2 1 295.814 1.573 20 10 CDCDMP CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001236000322 944369022 /nfs/dbraw/zinc/36/90/22/944369022.db2.gz SUROBCIANIOBED-OCZCAGDBSA-N 2 1 292.379 1.196 20 10 CDCDMP C[C@H]([NH3+])C[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236895587 944611639 /nfs/dbraw/zinc/61/16/39/944611639.db2.gz TWAJTAMNMWHCAS-LBPRGKRZSA-N 2 1 289.423 1.870 20 10 CDCDMP C[C@H]([NH3+])C[N@@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236895587 944611644 /nfs/dbraw/zinc/61/16/44/944611644.db2.gz TWAJTAMNMWHCAS-LBPRGKRZSA-N 2 1 289.423 1.870 20 10 CDCDMP Oc1cc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237410294 944762477 /nfs/dbraw/zinc/76/24/77/944762477.db2.gz COEQQRICMAMGFM-JQWIXIFHSA-N 2 1 278.352 1.377 20 10 CDCDMP Oc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237410294 944762486 /nfs/dbraw/zinc/76/24/86/944762486.db2.gz COEQQRICMAMGFM-JQWIXIFHSA-N 2 1 278.352 1.377 20 10 CDCDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180148466 357247518 /nfs/dbraw/zinc/24/75/18/357247518.db2.gz QBQDHYBVPMDQPK-NSHDSACASA-N 2 1 252.333 1.915 20 10 CDCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180148466 357247519 /nfs/dbraw/zinc/24/75/19/357247519.db2.gz QBQDHYBVPMDQPK-NSHDSACASA-N 2 1 252.333 1.915 20 10 CDCDMP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CC[NH+](C)CC1 ZINC000185364193 357536787 /nfs/dbraw/zinc/53/67/87/357536787.db2.gz MHWWTYPFBQYYNT-STQMWFEESA-N 2 1 295.402 1.818 20 10 CDCDMP Cc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000158135309 392421985 /nfs/dbraw/zinc/42/19/85/392421985.db2.gz ZIMBLQLNGZYLDE-CABCVRRESA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000158135309 392421989 /nfs/dbraw/zinc/42/19/89/392421989.db2.gz ZIMBLQLNGZYLDE-CABCVRRESA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1cc(O)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000762570245 576655296 /nfs/dbraw/zinc/65/52/96/576655296.db2.gz ZPGFBVYLVCVVNY-HNNXBMFYSA-N 2 1 264.369 1.165 20 10 CDCDMP Cc1cc(O)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000762570245 576655299 /nfs/dbraw/zinc/65/52/99/576655299.db2.gz ZPGFBVYLVCVVNY-HNNXBMFYSA-N 2 1 264.369 1.165 20 10 CDCDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889997 618482804 /nfs/dbraw/zinc/48/28/04/618482804.db2.gz VXPHQMWPHMWNCM-LSDHHAIUSA-N 2 1 293.386 1.632 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044527990 630549338 /nfs/dbraw/zinc/54/93/38/630549338.db2.gz ADERXPHJZXENHQ-LLVKDONJSA-N 2 1 250.342 1.572 20 10 CDCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000841078560 738455844 /nfs/dbraw/zinc/45/58/44/738455844.db2.gz VAVDHHVOVVDFBW-VIKVFOODSA-N 2 1 277.387 1.979 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1O ZINC000723689483 736850702 /nfs/dbraw/zinc/85/07/02/736850702.db2.gz GSOFIKWPTFHVBF-LLVKDONJSA-N 2 1 250.342 1.572 20 10 CDCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@](C)(O)C[NH2+]C)cc1 ZINC000846221528 737036665 /nfs/dbraw/zinc/03/66/65/737036665.db2.gz MTQOOCDXYLFZOM-QGZVFWFLSA-N 2 1 293.455 1.935 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000841085409 737570049 /nfs/dbraw/zinc/57/00/49/737570049.db2.gz BHZJWGDGXOHNDR-OAHLLOKOSA-N 2 1 263.385 1.221 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000163439627 737848927 /nfs/dbraw/zinc/84/89/27/737848927.db2.gz YVMHBBXRFPNAQF-AAEUAGOBSA-N 2 1 264.369 1.818 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000843126589 738870117 /nfs/dbraw/zinc/87/01/17/738870117.db2.gz KYOKGEFZRDFVRA-WCQYABFASA-N 2 1 292.379 1.593 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000843126589 738870119 /nfs/dbraw/zinc/87/01/19/738870119.db2.gz KYOKGEFZRDFVRA-WCQYABFASA-N 2 1 292.379 1.593 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843118029 736830703 /nfs/dbraw/zinc/83/07/03/736830703.db2.gz ZGEZTWPWWBMFQE-CQSZACIVSA-N 2 1 250.342 1.572 20 10 CDCDMP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000090720542 737008309 /nfs/dbraw/zinc/00/83/09/737008309.db2.gz LLOXYNQZLBDAQZ-ZYHUDNBSSA-N 2 1 278.352 1.693 20 10 CDCDMP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000090720542 737008314 /nfs/dbraw/zinc/00/83/14/737008314.db2.gz LLOXYNQZLBDAQZ-ZYHUDNBSSA-N 2 1 278.352 1.693 20 10 CDCDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843045632 738387000 /nfs/dbraw/zinc/38/70/00/738387000.db2.gz YKDIMLJAJDCAKD-LLVKDONJSA-N 2 1 278.352 1.552 20 10 CDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843045632 738387001 /nfs/dbraw/zinc/38/70/01/738387001.db2.gz YKDIMLJAJDCAKD-LLVKDONJSA-N 2 1 278.352 1.552 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(O)c1 ZINC000843126291 739113802 /nfs/dbraw/zinc/11/38/02/739113802.db2.gz HUHPEXPCRMPPEG-WFASDCNBSA-N 2 1 276.380 1.975 20 10 CDCDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000839181906 936907897 /nfs/dbraw/zinc/90/78/97/936907897.db2.gz KFPKGXKLILZNDX-LBPRGKRZSA-N 2 1 292.379 1.942 20 10 CDCDMP COc1c([O-])c(CNC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000841036594 936973038 /nfs/dbraw/zinc/97/30/38/936973038.db2.gz RRSYUDUSHYPWRF-SNVBAGLBSA-N 2 1 281.312 1.151 20 10 CDCDMP COc1cc(Cl)cc(C[NH2+]CC(C)(C)[NH3+])c1O ZINC000841031458 925283232 /nfs/dbraw/zinc/28/32/32/925283232.db2.gz URGUGTUTIILPHB-UHFFFAOYSA-N 2 1 258.749 1.881 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205829366 925358908 /nfs/dbraw/zinc/35/89/08/925358908.db2.gz OVNFEJFAYQVRQF-GWCFXTLKSA-N 2 1 264.369 1.965 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205829366 925358919 /nfs/dbraw/zinc/35/89/19/925358919.db2.gz OVNFEJFAYQVRQF-GWCFXTLKSA-N 2 1 264.369 1.965 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1O ZINC000252859396 935081669 /nfs/dbraw/zinc/08/16/69/935081669.db2.gz MKWMTDCGXFYMIS-FPMFFAJLSA-N 2 1 276.380 1.960 20 10 CDCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001205578624 939905199 /nfs/dbraw/zinc/90/51/99/939905199.db2.gz HISUMSZBXPHCAV-AWEZNQCLSA-N 2 1 284.331 1.456 20 10 CDCDMP COc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205764780 939934396 /nfs/dbraw/zinc/93/43/96/939934396.db2.gz YRATWVFPGUKQCL-NSHDSACASA-N 2 1 286.322 1.817 20 10 CDCDMP COc1cccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205764780 939934398 /nfs/dbraw/zinc/93/43/98/939934398.db2.gz YRATWVFPGUKQCL-NSHDSACASA-N 2 1 286.322 1.817 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CCC[C@@H]1C[NH3+] ZINC001206012952 939967699 /nfs/dbraw/zinc/96/76/99/939967699.db2.gz OJTXOBQMIAPFKZ-GHMZBOCLSA-N 2 1 280.368 1.610 20 10 CDCDMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487349 943596442 /nfs/dbraw/zinc/59/64/42/943596442.db2.gz ZSSIMMQQTMTSSX-STQMWFEESA-N 2 1 292.379 1.577 20 10 CDCDMP CC(C)c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064184 944037771 /nfs/dbraw/zinc/03/77/71/944037771.db2.gz VXUGJWDKNYJDER-QGZVFWFLSA-N 2 1 289.423 1.653 20 10 CDCDMP CC(C)c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064184 944037775 /nfs/dbraw/zinc/03/77/75/944037775.db2.gz VXUGJWDKNYJDER-QGZVFWFLSA-N 2 1 289.423 1.653 20 10 CDCDMP CCc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235062879 944038110 /nfs/dbraw/zinc/03/81/10/944038110.db2.gz QIKXOFOBEAYYPB-INIZCTEOSA-N 2 1 275.396 1.092 20 10 CDCDMP CCc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235062879 944038120 /nfs/dbraw/zinc/03/81/20/944038120.db2.gz QIKXOFOBEAYYPB-INIZCTEOSA-N 2 1 275.396 1.092 20 10 CDCDMP Cc1cc(O)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001235999188 944367124 /nfs/dbraw/zinc/36/71/24/944367124.db2.gz YJHQHIULMBMCRH-ODOQXGPZSA-N 2 1 296.798 1.760 20 10 CDCDMP Cc1cc(O)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001235999188 944367129 /nfs/dbraw/zinc/36/71/29/944367129.db2.gz YJHQHIULMBMCRH-ODOQXGPZSA-N 2 1 296.798 1.760 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237403244 944756645 /nfs/dbraw/zinc/75/66/45/944756645.db2.gz KGVGEZNEXFBATR-JSGCOSHPSA-N 2 1 276.380 1.980 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)cc1O ZINC001237405940 944759370 /nfs/dbraw/zinc/75/93/70/944759370.db2.gz SKUOFWQAYUACFE-DGCLKSJQSA-N 2 1 292.379 1.680 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)cc1O ZINC001237405940 944759381 /nfs/dbraw/zinc/75/93/81/944759381.db2.gz SKUOFWQAYUACFE-DGCLKSJQSA-N 2 1 292.379 1.680 20 10 CDCDMP Cc1cc(F)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1O ZINC001238066031 945048112 /nfs/dbraw/zinc/04/81/12/945048112.db2.gz DEYOVXDCKZRDQE-BETUJISGSA-N 2 1 264.344 1.833 20 10 CDCDMP Cc1cc(F)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC001238066031 945048121 /nfs/dbraw/zinc/04/81/21/945048121.db2.gz DEYOVXDCKZRDQE-BETUJISGSA-N 2 1 264.344 1.833 20 10 CDCDMP Cc1cc(F)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC001238066031 945048133 /nfs/dbraw/zinc/04/81/33/945048133.db2.gz DEYOVXDCKZRDQE-BETUJISGSA-N 2 1 264.344 1.833 20 10 CDCDMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001254497027 947454685 /nfs/dbraw/zinc/45/46/85/947454685.db2.gz FGIBMRGBGLXQAW-DOMZBBRYSA-N 2 1 280.368 1.205 20 10 CDCDMP C[NH2+]CC[C@H](C)NCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001246175548 948009666 /nfs/dbraw/zinc/00/96/66/948009666.db2.gz TZSOZTWFBJQTFH-AWEZNQCLSA-N 2 1 276.428 1.184 20 10 CDCDMP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325272747 953810000 /nfs/dbraw/zinc/81/00/00/953810000.db2.gz MUQSSWIAPIMJPD-ZDUSSCGKSA-N 3 1 294.418 1.262 20 10 CDCDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C[NH3+] ZINC001328682395 955414299 /nfs/dbraw/zinc/41/42/99/955414299.db2.gz SKRXTHIOCJUSEQ-OAHLLOKOSA-N 2 1 263.385 1.038 20 10 CDCDMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894174384 618657954 /nfs/dbraw/zinc/65/79/54/618657954.db2.gz SFSHPLKIEOYYPK-UHFFFAOYSA-N 2 1 296.411 1.767 20 10 CDCDMP COc1cc(C)cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1O ZINC000894200147 618688628 /nfs/dbraw/zinc/68/86/28/618688628.db2.gz KBQKKUGCHBCLAE-AWEZNQCLSA-N 2 1 294.395 1.256 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843059007 618692705 /nfs/dbraw/zinc/69/27/05/618692705.db2.gz BZOKWDWYVDYOCO-SGMGOOAPSA-N 2 1 276.380 1.960 20 10 CDCDMP COCC[N@@H+](C)CCC[NH2+]Cc1c(C)cccc1O ZINC000876928379 740703625 /nfs/dbraw/zinc/70/36/25/740703625.db2.gz BPJHORIXHFUDDW-UHFFFAOYSA-N 2 1 266.385 1.759 20 10 CDCDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843048724 741866910 /nfs/dbraw/zinc/86/69/10/741866910.db2.gz UFBPKFQYOZBAFL-HNNXBMFYSA-N 2 1 275.396 1.304 20 10 CDCDMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841028584 742360776 /nfs/dbraw/zinc/36/07/76/742360776.db2.gz PXOWFUFIJCVUQY-HNNXBMFYSA-N 2 1 293.386 1.489 20 10 CDCDMP Cc1c[nH]c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883283750 742411712 /nfs/dbraw/zinc/41/17/12/742411712.db2.gz RKVATEDWSIMIAI-UHFFFAOYSA-N 2 1 299.422 1.760 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000126852211 740543827 /nfs/dbraw/zinc/54/38/27/740543827.db2.gz RVPXCGSBIIYMAA-QWRGUYRKSA-N 2 1 250.342 1.570 20 10 CDCDMP Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000312315701 741266857 /nfs/dbraw/zinc/26/68/57/741266857.db2.gz AXXFINGJVOKTCM-GFCCVEGCSA-N 2 1 295.814 1.525 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C[NH3+] ZINC000235658824 742794804 /nfs/dbraw/zinc/79/48/04/742794804.db2.gz BGWJHDNBAUKQKF-JQWIXIFHSA-N 2 1 252.333 1.948 20 10 CDCDMP COCC[C@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001579003825 1167696967 /nfs/dbraw/zinc/69/69/67/1167696967.db2.gz LVRXDZAIEGEDOL-AWEZNQCLSA-N 2 1 265.401 1.514 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205095021 913392242 /nfs/dbraw/zinc/39/22/42/913392242.db2.gz SVDAGETVDUQGSL-LBPRGKRZSA-N 2 1 250.342 1.714 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205687966 924474533 /nfs/dbraw/zinc/47/45/33/924474533.db2.gz CCAHGTJQBMZERK-MRXNPFEDSA-N 2 1 293.411 1.134 20 10 CDCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@H]2CC1 ZINC001275112683 931665932 /nfs/dbraw/zinc/66/59/32/931665932.db2.gz LEWFXZOKMFWFLG-TXEJJXNPSA-N 2 1 292.379 1.577 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]2CC1 ZINC001275112683 931665935 /nfs/dbraw/zinc/66/59/35/931665935.db2.gz LEWFXZOKMFWFLG-TXEJJXNPSA-N 2 1 292.379 1.577 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]2CC1 ZINC001275112683 931665938 /nfs/dbraw/zinc/66/59/38/931665938.db2.gz LEWFXZOKMFWFLG-TXEJJXNPSA-N 2 1 292.379 1.577 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)cc1O ZINC001205110522 939824124 /nfs/dbraw/zinc/82/41/24/939824124.db2.gz VDSHKYNDJMNUOY-LLVKDONJSA-N 2 1 266.341 1.420 20 10 CDCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC001205228387 939839039 /nfs/dbraw/zinc/83/90/39/939839039.db2.gz FBQVVACKWGLMDD-AWEZNQCLSA-N 2 1 284.787 1.721 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc(O)c1O ZINC001205546650 939900635 /nfs/dbraw/zinc/90/06/35/939900635.db2.gz XSIWRUDEFSNDTB-OAHLLOKOSA-N 2 1 298.358 1.759 20 10 CDCDMP Cc1c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206518965 940053193 /nfs/dbraw/zinc/05/31/93/940053193.db2.gz GQTJIRPYRVKDAA-LRDDRELGSA-N 2 1 273.380 1.238 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237383467 944741648 /nfs/dbraw/zinc/74/16/48/944741648.db2.gz PFWRZCSEBFGZLH-WFASDCNBSA-N 2 1 276.380 1.975 20 10 CDCDMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC001253208401 951804629 /nfs/dbraw/zinc/80/46/29/951804629.db2.gz PIBAGWGMDOJUQF-OLZOCXBDSA-N 2 1 266.385 1.746 20 10 CDCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c(O)c1C ZINC000756554799 576995295 /nfs/dbraw/zinc/99/52/95/576995295.db2.gz JEMUODOSNHXXPQ-OLZOCXBDSA-N 2 1 266.385 1.582 20 10 CDCDMP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(O)c1OC ZINC000892251619 617579231 /nfs/dbraw/zinc/57/92/31/617579231.db2.gz JRIHNQTZZXFBEG-VXGBXAGGSA-N 2 1 278.352 1.061 20 10 CDCDMP C[NH2+]CCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000841104804 618683257 /nfs/dbraw/zinc/68/32/57/618683257.db2.gz SSBGNXLIVCLPHD-UHFFFAOYSA-N 2 1 268.357 1.451 20 10 CDCDMP C[NH2+]CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000841104804 618683260 /nfs/dbraw/zinc/68/32/60/618683260.db2.gz SSBGNXLIVCLPHD-UHFFFAOYSA-N 2 1 268.357 1.451 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723690187 745016904 /nfs/dbraw/zinc/01/69/04/745016904.db2.gz NLVXHPAJIHYJQF-NSHDSACASA-N 2 1 250.342 1.572 20 10 CDCDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843048531 745645484 /nfs/dbraw/zinc/64/54/84/745645484.db2.gz FZHMDOACDZRPCK-AWEZNQCLSA-N 2 1 293.386 1.443 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843047837 745679294 /nfs/dbraw/zinc/67/92/94/745679294.db2.gz YKGUQWSBTKCUKZ-NSHDSACASA-N 2 1 250.342 1.572 20 10 CDCDMP Cc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(O)c1 ZINC000877642546 745814951 /nfs/dbraw/zinc/81/49/51/745814951.db2.gz ZZIBGNXGTPMPEX-UHFFFAOYSA-N 2 1 286.379 1.756 20 10 CDCDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000219686540 745956099 /nfs/dbraw/zinc/95/60/99/745956099.db2.gz WECANQKZFMOLBG-LLVKDONJSA-N 2 1 252.333 1.963 20 10 CDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000219686540 745956115 /nfs/dbraw/zinc/95/61/15/745956115.db2.gz WECANQKZFMOLBG-LLVKDONJSA-N 2 1 252.333 1.963 20 10 CDCDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841029927 746208344 /nfs/dbraw/zinc/20/83/44/746208344.db2.gz OYEUJFUADWZJBY-MRXNPFEDSA-N 2 1 277.412 1.596 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(O)c1 ZINC000843051094 746305190 /nfs/dbraw/zinc/30/51/90/746305190.db2.gz DZPPKIPGOVQIJL-FZMZJTMJSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cc(Cl)cc(C[NH2+]C[C@H]([NH3+])C2CC2)c1O ZINC000841048613 746857277 /nfs/dbraw/zinc/85/72/77/746857277.db2.gz FROAALFGLQZRCV-NSHDSACASA-N 2 1 270.760 1.881 20 10 CDCDMP C[NH+]1CCN(c2ccc(CNCC(F)(F)C[NH3+])cc2)CC1 ZINC000841060313 747081413 /nfs/dbraw/zinc/08/14/13/747081413.db2.gz UMHQUCHFBXZUAY-UHFFFAOYSA-N 2 1 298.381 1.122 20 10 CDCDMP C[C@@H](CCO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846112727 748907616 /nfs/dbraw/zinc/90/76/16/748907616.db2.gz XFGLPYBCWWKIPV-HNNXBMFYSA-N 2 1 291.439 1.641 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000848896120 749222160 /nfs/dbraw/zinc/22/21/60/749222160.db2.gz SIQGEWAQJVAMSK-JKSUJKDBSA-N 2 1 290.407 1.907 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000848896120 749222170 /nfs/dbraw/zinc/22/21/70/749222170.db2.gz SIQGEWAQJVAMSK-JKSUJKDBSA-N 2 1 290.407 1.907 20 10 CDCDMP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001210500013 940695176 /nfs/dbraw/zinc/69/51/76/940695176.db2.gz YUZIMACKXVWBEW-HNNXBMFYSA-N 3 1 288.439 1.280 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001210500013 940695179 /nfs/dbraw/zinc/69/51/79/940695179.db2.gz YUZIMACKXVWBEW-HNNXBMFYSA-N 3 1 288.439 1.280 20 10 CDCDMP C[C@@H]1C[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879493 948499697 /nfs/dbraw/zinc/49/96/97/948499697.db2.gz WDVWZXIZDXXJIT-RISCZKNCSA-N 2 1 276.380 1.987 20 10 CDCDMP C[C@@H]1C[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879493 948499701 /nfs/dbraw/zinc/49/97/01/948499701.db2.gz WDVWZXIZDXXJIT-RISCZKNCSA-N 2 1 276.380 1.987 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420669 626294655 /nfs/dbraw/zinc/29/46/55/626294655.db2.gz DGBKAKAKGXWJSG-LSDHHAIUSA-N 2 1 259.397 1.794 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1O ZINC000131530325 751744561 /nfs/dbraw/zinc/74/45/61/751744561.db2.gz IPHRYQWKUFXVGB-PWSUYJOCSA-N 2 1 250.342 1.712 20 10 CDCDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C)cc1O ZINC000794815294 751862586 /nfs/dbraw/zinc/86/25/86/751862586.db2.gz OMTOEMYNVMPVGE-GDBMZVCRSA-N 2 1 278.396 1.808 20 10 CDCDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C)cc1O ZINC000794815294 751862587 /nfs/dbraw/zinc/86/25/87/751862587.db2.gz OMTOEMYNVMPVGE-GDBMZVCRSA-N 2 1 278.396 1.808 20 10 CDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775645883 750891414 /nfs/dbraw/zinc/89/14/14/750891414.db2.gz SNFFZKOSLXUFMY-OAHLLOKOSA-N 2 1 289.423 1.659 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775645883 750891415 /nfs/dbraw/zinc/89/14/15/750891415.db2.gz SNFFZKOSLXUFMY-OAHLLOKOSA-N 2 1 289.423 1.659 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000216050094 752833130 /nfs/dbraw/zinc/83/31/30/752833130.db2.gz YPTGOKSRGHVFJK-MNOVXSKESA-N 2 1 250.342 1.570 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000849350299 753388276 /nfs/dbraw/zinc/38/82/76/753388276.db2.gz NDLDLCYMPXGGQQ-UHFFFAOYSA-N 2 1 252.358 1.960 20 10 CDCDMP CCOc1ccc(O)c(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000849350299 753388281 /nfs/dbraw/zinc/38/82/81/753388281.db2.gz NDLDLCYMPXGGQQ-UHFFFAOYSA-N 2 1 252.358 1.960 20 10 CDCDMP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886531005 753796089 /nfs/dbraw/zinc/79/60/89/753796089.db2.gz VAVJJMUGVFOLHD-NSHDSACASA-N 2 1 282.359 1.639 20 10 CDCDMP CCOc1cccc(C[N@@H+](C)CCOCC[NH3+])c1O ZINC000699456149 913822795 /nfs/dbraw/zinc/82/27/95/913822795.db2.gz AQIJKFJKLXSBHR-UHFFFAOYSA-N 2 1 268.357 1.198 20 10 CDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1F ZINC001206152808 911051978 /nfs/dbraw/zinc/05/19/78/911051978.db2.gz AZPJQEICVYISHW-WDEREUQCSA-N 2 1 254.305 1.359 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1F ZINC001206152808 911051992 /nfs/dbraw/zinc/05/19/92/911051992.db2.gz AZPJQEICVYISHW-WDEREUQCSA-N 2 1 254.305 1.359 20 10 CDCDMP COc1cc(C[N@@H+](C)[C@@H]2CCOC2)cc(C[NH+](C)C)c1O ZINC001139257141 936611971 /nfs/dbraw/zinc/61/19/71/936611971.db2.gz SQQOBWCFYCKTFH-CQSZACIVSA-N 2 1 294.395 1.683 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1F ZINC000841049298 936973601 /nfs/dbraw/zinc/97/36/01/936973601.db2.gz JMPQMLYIJAAJOI-CYBMUJFWSA-N 2 1 251.349 1.719 20 10 CDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843044995 937105559 /nfs/dbraw/zinc/10/55/59/937105559.db2.gz PFWYXRNTHUELNE-LLVKDONJSA-N 2 1 252.333 1.963 20 10 CDCDMP [NH3+]Cc1ccc2c(c1)CCCN2CCC[NH+]1CCOCC1 ZINC000844219985 931557103 /nfs/dbraw/zinc/55/71/03/931557103.db2.gz PUTYCWZXFNBRNX-UHFFFAOYSA-N 2 1 289.423 1.620 20 10 CDCDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccccc1O ZINC001203556647 939693580 /nfs/dbraw/zinc/69/35/80/939693580.db2.gz SKJWLRUZHWNTSA-UHFFFAOYSA-N 2 1 294.395 1.709 20 10 CDCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1O ZINC001203556647 939693581 /nfs/dbraw/zinc/69/35/81/939693581.db2.gz SKJWLRUZHWNTSA-UHFFFAOYSA-N 2 1 294.395 1.709 20 10 CDCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001205571824 939904460 /nfs/dbraw/zinc/90/44/60/939904460.db2.gz YPYFSEZZFKUTKD-AWEZNQCLSA-N 2 1 268.332 1.751 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1O ZINC001206525125 940054430 /nfs/dbraw/zinc/05/44/30/940054430.db2.gz HGRQUQAZCZZMOU-LRDDRELGSA-N 2 1 272.348 1.297 20 10 CDCDMP COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(O)cc1O ZINC001231637869 942954654 /nfs/dbraw/zinc/95/46/54/942954654.db2.gz TVECLNCTYHVAFS-TXEJJXNPSA-N 2 1 278.352 1.100 20 10 CDCDMP COc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)cc1O ZINC001231637869 942954672 /nfs/dbraw/zinc/95/46/72/942954672.db2.gz TVECLNCTYHVAFS-TXEJJXNPSA-N 2 1 278.352 1.100 20 10 CDCDMP COc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)cc1O ZINC001231637869 942954678 /nfs/dbraw/zinc/95/46/78/942954678.db2.gz TVECLNCTYHVAFS-TXEJJXNPSA-N 2 1 278.352 1.100 20 10 CDCDMP Cc1cc(C)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234986206 943995635 /nfs/dbraw/zinc/99/56/35/943995635.db2.gz CAZHTNSHMYSUAS-INIZCTEOSA-N 2 1 275.396 1.146 20 10 CDCDMP Cc1cc(F)cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1O ZINC001238071149 945052835 /nfs/dbraw/zinc/05/28/35/945052835.db2.gz ULDMBBPUAMJFCO-UHFFFAOYSA-N 2 1 295.402 1.519 20 10 CDCDMP COc1cccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000272539161 263006385 /nfs/dbraw/zinc/00/63/85/263006385.db2.gz BWNPYRFSHRAYFB-OCCSQVGLSA-N 2 1 276.380 1.927 20 10 CDCDMP COc1cccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000272539161 263006386 /nfs/dbraw/zinc/00/63/86/263006386.db2.gz BWNPYRFSHRAYFB-OCCSQVGLSA-N 2 1 276.380 1.927 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000126851760 754190672 /nfs/dbraw/zinc/19/06/72/754190672.db2.gz RVPXCGSBIIYMAA-WDEREUQCSA-N 2 1 250.342 1.570 20 10 CDCDMP Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841087316 754462878 /nfs/dbraw/zinc/46/28/78/754462878.db2.gz UNDZPRFRDSXOPQ-LBPRGKRZSA-N 2 1 270.760 1.514 20 10 CDCDMP COc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1C ZINC000863648812 754669396 /nfs/dbraw/zinc/66/93/96/754669396.db2.gz KCDUGHKLKCIMGU-UHFFFAOYSA-N 2 1 288.351 1.248 20 10 CDCDMP C[NH+]1CCN(c2ccc(CN3CCC([NH3+])CC3)cc2)CC1 ZINC000843047012 754935614 /nfs/dbraw/zinc/93/56/14/754935614.db2.gz DEKMIOHTYLTGAP-UHFFFAOYSA-N 2 1 288.439 1.362 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CO)C3)cc2)CC1 ZINC000775669058 755128390 /nfs/dbraw/zinc/12/83/90/755128390.db2.gz DDUGKDPSCLJBKH-INIZCTEOSA-N 2 1 289.423 1.253 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c1 ZINC000873258604 755276968 /nfs/dbraw/zinc/27/69/68/755276968.db2.gz SESVYALTGJQADY-NHCYSSNCSA-N 2 1 278.352 1.567 20 10 CDCDMP Cn1cnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000883283595 755795807 /nfs/dbraw/zinc/79/58/07/755795807.db2.gz LHKFVHNLLXAEKY-UHFFFAOYSA-N 2 1 299.422 1.462 20 10 CDCDMP Oc1ccc(Cl)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841087315 756837338 /nfs/dbraw/zinc/83/73/38/756837338.db2.gz UNDZPRFRDSXOPQ-GFCCVEGCSA-N 2 1 270.760 1.514 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000843051935 757161981 /nfs/dbraw/zinc/16/19/81/757161981.db2.gz MYFNSAYZHWWWLZ-CMPLNLGQSA-N 2 1 250.342 1.570 20 10 CDCDMP CCOc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1O ZINC000841028078 758526232 /nfs/dbraw/zinc/52/62/32/758526232.db2.gz LEQLYLLCJKERJT-GFCCVEGCSA-N 2 1 250.342 1.618 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206156327 911200454 /nfs/dbraw/zinc/20/04/54/911200454.db2.gz QCEDAGXYLDXWET-STQMWFEESA-N 2 1 268.332 1.662 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(OC)c1 ZINC001206175318 911923769 /nfs/dbraw/zinc/92/37/69/911923769.db2.gz UFDZUUBFXCSMLE-CHWSQXEVSA-N 2 1 298.358 1.671 20 10 CDCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205578659 922901756 /nfs/dbraw/zinc/90/17/56/922901756.db2.gz IFVMHAWISKGEKW-CQSZACIVSA-N 2 1 284.331 1.456 20 10 CDCDMP C[NH+](C)CCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000234254054 932454946 /nfs/dbraw/zinc/45/49/46/932454946.db2.gz OJFCCARXDQPJOQ-UHFFFAOYSA-N 2 1 281.375 1.211 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001206464638 940043181 /nfs/dbraw/zinc/04/31/81/940043181.db2.gz RJTXOGYUTMHNOW-GOEBONIOSA-N 2 1 275.396 1.038 20 10 CDCDMP Cc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222095715 941563712 /nfs/dbraw/zinc/56/37/12/941563712.db2.gz YRRWKMHFNOIHPL-UHFFFAOYSA-N 2 1 275.396 1.228 20 10 CDCDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001276830694 941605592 /nfs/dbraw/zinc/60/55/92/941605592.db2.gz ROQSOQFXOBJARD-UHFFFAOYSA-N 2 1 292.379 1.721 20 10 CDCDMP C[C@H](C[NH3+])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325272745 953809442 /nfs/dbraw/zinc/80/94/42/953809442.db2.gz MUQSSWIAPIMJPD-CYBMUJFWSA-N 3 1 294.418 1.262 20 10 CDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843058709 618692026 /nfs/dbraw/zinc/69/20/26/618692026.db2.gz WVENNANUNGTFAJ-ZBFHGGJFSA-N 2 1 289.423 1.692 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1O ZINC000897681156 621069794 /nfs/dbraw/zinc/06/97/94/621069794.db2.gz PSEQVDCADKMKKR-PBHICJAKSA-N 2 1 289.423 1.251 20 10 CDCDMP C[NH+](C)CCN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000133867704 1175809556 /nfs/dbraw/zinc/80/95/56/1175809556.db2.gz GUHDSNJMRNYFOY-UHFFFAOYSA-N 2 1 297.830 1.725 20 10 CDCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(F)ccc1O ZINC000702652933 758867547 /nfs/dbraw/zinc/86/75/47/758867547.db2.gz NRBAWTWARJNHQE-QMTHXVAHSA-N 2 1 268.332 1.249 20 10 CDCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(F)ccc1O ZINC000702652933 758867548 /nfs/dbraw/zinc/86/75/48/758867548.db2.gz NRBAWTWARJNHQE-QMTHXVAHSA-N 2 1 268.332 1.249 20 10 CDCDMP CCOc1ccc(O)c(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000863650346 758894495 /nfs/dbraw/zinc/89/44/95/758894495.db2.gz QXSVRSNYGOHBHC-UHFFFAOYSA-N 2 1 268.357 1.198 20 10 CDCDMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000841029659 769152894 /nfs/dbraw/zinc/15/28/94/769152894.db2.gz XYTFKQIIKCBVGK-INIZCTEOSA-N 2 1 275.396 1.350 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000312074871 770277723 /nfs/dbraw/zinc/27/77/23/770277723.db2.gz JCIRISZGLDBBSY-GDBMZVCRSA-N 2 1 259.397 1.936 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313348687 770818135 /nfs/dbraw/zinc/81/81/35/770818135.db2.gz HRVWLLHOHBBAGC-HNNXBMFYSA-N 2 1 263.385 1.302 20 10 CDCDMP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817936584 771533861 /nfs/dbraw/zinc/53/38/61/771533861.db2.gz PNDFZVCPLAIEOX-LBPRGKRZSA-N 2 1 281.375 1.477 20 10 CDCDMP COc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000846166568 771824371 /nfs/dbraw/zinc/82/43/71/771824371.db2.gz ZLBIPFJYUNHNGO-ABAIWWIYSA-N 2 1 280.368 1.118 20 10 CDCDMP COc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000846166568 771824372 /nfs/dbraw/zinc/82/43/72/771824372.db2.gz ZLBIPFJYUNHNGO-ABAIWWIYSA-N 2 1 280.368 1.118 20 10 CDCDMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000228723966 936910813 /nfs/dbraw/zinc/91/08/13/936910813.db2.gz CSBMYFRPYHMPSS-QGZVFWFLSA-N 2 1 291.439 1.689 20 10 CDCDMP Oc1cc(O)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c(O)c1 ZINC001144500369 931860284 /nfs/dbraw/zinc/86/02/84/931860284.db2.gz SRCZOYVKOPBBOP-UHFFFAOYSA-N 2 1 292.379 1.864 20 10 CDCDMP CN(C)c1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000686274912 934030525 /nfs/dbraw/zinc/03/05/25/934030525.db2.gz JMWZEQGGBHBWNJ-UHFFFAOYSA-N 2 1 277.412 1.299 20 10 CDCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205229705 939839651 /nfs/dbraw/zinc/83/96/51/939839651.db2.gz OHMOUVINBUYXHD-INIZCTEOSA-N 2 1 278.396 1.685 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@@H]1O ZINC001206530088 940055790 /nfs/dbraw/zinc/05/57/90/940055790.db2.gz BLIPBDVUZOFBRV-ZFWWWQNUSA-N 2 1 272.348 1.297 20 10 CDCDMP Oc1c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)ccc2ccccc21 ZINC001234989658 943997242 /nfs/dbraw/zinc/99/72/42/943997242.db2.gz QFENSBZSNYGQBB-SFHVURJKSA-N 2 1 297.402 1.683 20 10 CDCDMP CC(C)c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064180 944037414 /nfs/dbraw/zinc/03/74/14/944037414.db2.gz VXUGJWDKNYJDER-KRWDZBQOSA-N 2 1 289.423 1.653 20 10 CDCDMP CC(C)c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064180 944037417 /nfs/dbraw/zinc/03/74/17/944037417.db2.gz VXUGJWDKNYJDER-KRWDZBQOSA-N 2 1 289.423 1.653 20 10 CDCDMP COc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000312742354 260195935 /nfs/dbraw/zinc/19/59/35/260195935.db2.gz VODJJJJNDCHQEQ-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000312742354 260195936 /nfs/dbraw/zinc/19/59/36/260195936.db2.gz VODJJJJNDCHQEQ-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)cc(F)c1O ZINC000774383625 575944270 /nfs/dbraw/zinc/94/42/70/575944270.db2.gz ZDFMMZAALNBQAL-SNVBAGLBSA-N 2 1 288.338 1.899 20 10 CDCDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843058707 618691932 /nfs/dbraw/zinc/69/19/32/618691932.db2.gz WVENNANUNGTFAJ-GOEBONIOSA-N 2 1 289.423 1.692 20 10 CDCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000044532666 630549499 /nfs/dbraw/zinc/54/94/99/630549499.db2.gz JZKGXGUXBNEEEA-LLVKDONJSA-N 2 1 278.352 1.552 20 10 CDCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000386482259 774069036 /nfs/dbraw/zinc/06/90/36/774069036.db2.gz INJSJFVKZOEIPW-MFKMUULPSA-N 2 1 250.317 1.715 20 10 CDCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000386482259 774069042 /nfs/dbraw/zinc/06/90/42/774069042.db2.gz INJSJFVKZOEIPW-MFKMUULPSA-N 2 1 250.317 1.715 20 10 CDCDMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649549 776847534 /nfs/dbraw/zinc/84/75/34/776847534.db2.gz VXCVNRDHCJOLOE-CHWSQXEVSA-N 2 1 266.385 1.744 20 10 CDCDMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649549 776847540 /nfs/dbraw/zinc/84/75/40/776847540.db2.gz VXCVNRDHCJOLOE-CHWSQXEVSA-N 2 1 266.385 1.744 20 10 CDCDMP CCC[N@@H+](CCOCC[NH3+])Cc1ccccc1O ZINC000843358276 777038822 /nfs/dbraw/zinc/03/88/22/777038822.db2.gz KIDYHTBVHUNPLL-UHFFFAOYSA-N 2 1 252.358 1.580 20 10 CDCDMP COc1cc(Cl)cc(C[N@@H+](C)C2CC([NH3+])C2)c1O ZINC000384763373 778470409 /nfs/dbraw/zinc/47/04/09/778470409.db2.gz ARIHFOIUXWRKAH-UHFFFAOYSA-N 2 1 270.760 1.976 20 10 CDCDMP CC[NH+](CC)C[C@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001253192939 929926484 /nfs/dbraw/zinc/92/64/84/929926484.db2.gz CCUBEZAYNRBHQW-HNNXBMFYSA-N 2 1 280.412 1.917 20 10 CDCDMP CC[NH+](CC)C[C@H](O)C[N@@H+](CC)Cc1ccccc1O ZINC001253192939 929926486 /nfs/dbraw/zinc/92/64/86/929926486.db2.gz CCUBEZAYNRBHQW-HNNXBMFYSA-N 2 1 280.412 1.917 20 10 CDCDMP CN1CCC([N@@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144499545 931857899 /nfs/dbraw/zinc/85/78/99/931857899.db2.gz ICTFDFNWHFOAAR-UHFFFAOYSA-N 2 1 266.341 1.329 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCC[C@H]1C[NH3+] ZINC001206026451 939969076 /nfs/dbraw/zinc/96/90/76/939969076.db2.gz SEHDFNWKJNHGSN-MNOVXSKESA-N 2 1 280.368 1.610 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H]1O ZINC001206530873 940055420 /nfs/dbraw/zinc/05/54/20/940055420.db2.gz TYLXLLANQHHVRN-CABZTGNLSA-N 2 1 290.285 1.162 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1O ZINC000848896117 969340249 /nfs/dbraw/zinc/34/02/49/969340249.db2.gz SIQGEWAQJVAMSK-CVEARBPZSA-N 2 1 290.407 1.907 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000848896117 969340256 /nfs/dbraw/zinc/34/02/56/969340256.db2.gz SIQGEWAQJVAMSK-CVEARBPZSA-N 2 1 290.407 1.907 20 10 CDCDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2O)CCCO1 ZINC000277950989 524593431 /nfs/dbraw/zinc/59/34/31/524593431.db2.gz RMFTWJYSVYSYDR-AWEZNQCLSA-N 2 1 278.396 1.983 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C[NH3+] ZINC000841101321 618683328 /nfs/dbraw/zinc/68/33/28/618683328.db2.gz SMTBJTNXRLTOHK-PWSUYJOCSA-N 2 1 278.352 1.538 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000873252464 781753408 /nfs/dbraw/zinc/75/34/08/781753408.db2.gz SESVYALTGJQADY-JBLDHEPKSA-N 2 1 278.352 1.567 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000312074874 899507215 /nfs/dbraw/zinc/50/72/15/899507215.db2.gz JCIRISZGLDBBSY-ZBFHGGJFSA-N 2 1 259.397 1.936 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206154120 911174391 /nfs/dbraw/zinc/17/43/91/911174391.db2.gz GPCGTHHEVSKCIN-VXGBXAGGSA-N 2 1 268.332 1.662 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228538349 911922603 /nfs/dbraw/zinc/92/26/03/911922603.db2.gz WNWKOKDBTLKUQM-NILFDRSVSA-N 2 1 276.380 1.960 20 10 CDCDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139408651 936618108 /nfs/dbraw/zinc/61/81/08/936618108.db2.gz OJEGQYLCBRFBPT-KRWDZBQOSA-N 2 1 289.423 1.659 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1F ZINC000843048543 937106516 /nfs/dbraw/zinc/10/65/16/937106516.db2.gz GJPUPBUNUWOWPG-LBPRGKRZSA-N 2 1 251.349 1.672 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120496 937114328 /nfs/dbraw/zinc/11/43/28/937114328.db2.gz NPSSIEHWXBATSO-HNNXBMFYSA-N 2 1 262.353 1.586 20 10 CDCDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854229929 928173918 /nfs/dbraw/zinc/17/39/18/928173918.db2.gz APYFEZMBFZHFTF-DLBZAZTESA-N 2 1 289.423 1.617 20 10 CDCDMP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1F ZINC000817898808 930621994 /nfs/dbraw/zinc/62/19/94/930621994.db2.gz BGOIVNVAAANTTP-QWHCGFSZSA-N 2 1 251.349 1.861 20 10 CDCDMP CCC[N@@H+](Cc1ccccc1O)C[C@@](C)(O)C[NH2+]C ZINC000846218395 931994887 /nfs/dbraw/zinc/99/48/87/931994887.db2.gz MZRPAQFKWMSSTM-HNNXBMFYSA-N 2 1 266.385 1.575 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1OC ZINC001205124752 939825462 /nfs/dbraw/zinc/82/54/62/939825462.db2.gz ZMDKSBFQCBNOCU-GFCCVEGCSA-N 2 1 280.368 1.723 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@H]1C[NH3+] ZINC001205141178 939827780 /nfs/dbraw/zinc/82/77/80/939827780.db2.gz XZGVSUUSMJEUPC-WCBMZHEXSA-N 2 1 256.296 1.697 20 10 CDCDMP Oc1cc(O)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222248298 941577891 /nfs/dbraw/zinc/57/78/91/941577891.db2.gz KWHOGXQVAHOIMS-HNNXBMFYSA-N 2 1 278.352 1.521 20 10 CDCDMP Oc1cc(O)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222248298 941577895 /nfs/dbraw/zinc/57/78/95/941577895.db2.gz KWHOGXQVAHOIMS-HNNXBMFYSA-N 2 1 278.352 1.521 20 10 CDCDMP Oc1ccc2ccccc2c1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235058991 944033109 /nfs/dbraw/zinc/03/31/09/944033109.db2.gz BPNXDIAUGIIJGM-GOSISDBHSA-N 2 1 297.402 1.683 20 10 CDCDMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(O)cc1O ZINC001236322445 944471214 /nfs/dbraw/zinc/47/12/14/944471214.db2.gz XLLGCNIMCSVIKH-TXEJJXNPSA-N 2 1 292.379 1.538 20 10 CDCDMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001254506708 947465258 /nfs/dbraw/zinc/46/52/58/947465258.db2.gz YDLDBLRMHWFMOY-LBPRGKRZSA-N 2 1 250.342 1.672 20 10 CDCDMP c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001325320268 953837276 /nfs/dbraw/zinc/83/72/76/953837276.db2.gz ORKUJOYGLSHQIJ-ZSHCYNCHSA-N 2 1 257.381 1.594 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000180230477 357253490 /nfs/dbraw/zinc/25/34/90/357253490.db2.gz SRFNLKMIYBKKCC-GFCCVEGCSA-N 2 1 264.369 1.784 20 10 CDCDMP c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770394758 575445595 /nfs/dbraw/zinc/44/55/95/575445595.db2.gz LUBFOXKUZSWJLO-IYBDPMFKSA-N 2 1 287.407 1.174 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(O)c1 ZINC001579144435 1172105833 /nfs/dbraw/zinc/10/58/33/1172105833.db2.gz GJYOMLCPBNDRRQ-IUODEOHRSA-N 2 1 276.380 1.893 20 10 CDCDMP [NH3+]C1CCN(CC[NH2+]Cc2cccc(F)c2O)CC1 ZINC001580189047 1172370038 /nfs/dbraw/zinc/37/00/38/1172370038.db2.gz GVDYAPKKIVWUFS-UHFFFAOYSA-N 2 1 267.348 1.044 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1O ZINC000070169534 917199143 /nfs/dbraw/zinc/19/91/43/917199143.db2.gz MBHKMQAMCPCLTP-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP CCn1cc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000841041813 936973122 /nfs/dbraw/zinc/97/31/22/936973122.db2.gz FPWOUJYVWBHUGX-MRXNPFEDSA-N 2 1 287.411 1.759 20 10 CDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC000844220567 931557546 /nfs/dbraw/zinc/55/75/46/931557546.db2.gz IGGXXBDBWWUEQX-INIZCTEOSA-N 2 1 289.423 1.565 20 10 CDCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001275112760 931665954 /nfs/dbraw/zinc/66/59/54/931665954.db2.gz PBZJKLDQKXZVGL-FGWVZKOKSA-N 2 1 278.352 1.518 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)CC[C@@H]1C[NH3+] ZINC001205627704 939909831 /nfs/dbraw/zinc/90/98/31/939909831.db2.gz RTVLXLSNAMYKTE-VXGBXAGGSA-N 2 1 264.369 1.905 20 10 CDCDMP COc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205663350 939913673 /nfs/dbraw/zinc/91/36/73/939913673.db2.gz HXNWCLZOKHPKKN-HNNXBMFYSA-N 2 1 280.368 1.077 20 10 CDCDMP Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237403090 944757019 /nfs/dbraw/zinc/75/70/19/944757019.db2.gz JVFNOCHJKKIPGY-RISCZKNCSA-N 2 1 262.353 1.672 20 10 CDCDMP Oc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237403090 944757023 /nfs/dbraw/zinc/75/70/23/944757023.db2.gz JVFNOCHJKKIPGY-RISCZKNCSA-N 2 1 262.353 1.672 20 10 CDCDMP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)N1CC[NH+](C)CC1 ZINC000185364213 357536887 /nfs/dbraw/zinc/53/68/87/357536887.db2.gz MHWWTYPFBQYYNT-OLZOCXBDSA-N 2 1 295.402 1.818 20 10 CDCDMP COC[C@]1(C[NH2+]Cc2cccc(OC)c2O)CCC[NH2+]1 ZINC000841067218 618680224 /nfs/dbraw/zinc/68/02/24/618680224.db2.gz KUJGWNDFSLROOL-OAHLLOKOSA-N 2 1 280.368 1.259 20 10 CDCDMP COc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000162640502 1180189905 /nfs/dbraw/zinc/18/99/05/1180189905.db2.gz IQUDBGPWVKOPCR-HOCLYGCPSA-N 2 1 289.423 1.958 20 10 CDCDMP COc1cc(O)c(C[NH+]2CCC([NH3+])CC2)cc1OC ZINC000843047657 784908329 /nfs/dbraw/zinc/90/83/29/784908329.db2.gz ULRQXZVVQSNAFJ-UHFFFAOYSA-N 2 1 266.341 1.333 20 10 CDCDMP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817946465 785961878 /nfs/dbraw/zinc/96/18/78/785961878.db2.gz XWEZIUIFKQRBEL-CYBMUJFWSA-N 2 1 295.358 1.004 20 10 CDCDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841028148 787735425 /nfs/dbraw/zinc/73/54/25/787735425.db2.gz BQYJRHTYKGVMMO-SNVBAGLBSA-N 2 1 252.314 1.194 20 10 CDCDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000843056455 787833658 /nfs/dbraw/zinc/83/36/58/787833658.db2.gz KLMNFNNDTCYYKS-GFCCVEGCSA-N 2 1 280.368 1.926 20 10 CDCDMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000846860666 788031034 /nfs/dbraw/zinc/03/10/34/788031034.db2.gz LMNVHKKTKHGDBT-XJKSGUPXSA-N 2 1 279.428 1.716 20 10 CDCDMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000846860666 788031039 /nfs/dbraw/zinc/03/10/39/788031039.db2.gz LMNVHKKTKHGDBT-XJKSGUPXSA-N 2 1 279.428 1.716 20 10 CDCDMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000846860666 788031050 /nfs/dbraw/zinc/03/10/50/788031050.db2.gz LMNVHKKTKHGDBT-XJKSGUPXSA-N 2 1 279.428 1.716 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000817983132 788373753 /nfs/dbraw/zinc/37/37/53/788373753.db2.gz YSUYMGJJQROBHO-DMDPSCGWSA-N 2 1 292.379 1.957 20 10 CDCDMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000305114715 789814000 /nfs/dbraw/zinc/81/40/00/789814000.db2.gz HLCZZOPJBYEDCK-JKSUJKDBSA-N 2 1 279.428 1.716 20 10 CDCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992050 914500455 /nfs/dbraw/zinc/50/04/55/914500455.db2.gz PZBUQJRBDMVYHO-WFASDCNBSA-N 2 1 261.369 1.381 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992050 914500473 /nfs/dbraw/zinc/50/04/73/914500473.db2.gz PZBUQJRBDMVYHO-WFASDCNBSA-N 2 1 261.369 1.381 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000252789692 935071157 /nfs/dbraw/zinc/07/11/57/935071157.db2.gz RTAFIZSKVRCCAS-NWDGAFQWSA-N 2 1 264.369 1.960 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000843048383 919346230 /nfs/dbraw/zinc/34/62/30/919346230.db2.gz OPPBVWFWDVBHQR-INIZCTEOSA-N 3 1 288.439 1.219 20 10 CDCDMP CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000843048383 919346246 /nfs/dbraw/zinc/34/62/46/919346246.db2.gz OPPBVWFWDVBHQR-INIZCTEOSA-N 2 1 288.439 1.219 20 10 CDCDMP CN1CCN(c2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000843048383 919346262 /nfs/dbraw/zinc/34/62/62/919346262.db2.gz OPPBVWFWDVBHQR-INIZCTEOSA-N 2 1 288.439 1.219 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000843117963 919637523 /nfs/dbraw/zinc/63/75/23/919637523.db2.gz XIZRSRRCPIYVFK-HNNXBMFYSA-N 2 1 280.368 1.580 20 10 CDCDMP C[N@@H+]1CCc2c(c([N+](=O)[O-])ccc2N2CC[C@H]([NH3+])C2)C1 ZINC001164286084 939446696 /nfs/dbraw/zinc/44/66/96/939446696.db2.gz FCFRAKRTAZAKDA-JTQLQIEISA-N 2 1 276.340 1.120 20 10 CDCDMP C[N@H+]1CCc2c(c([N+](=O)[O-])ccc2N2CC[C@H]([NH3+])C2)C1 ZINC001164286084 939446698 /nfs/dbraw/zinc/44/66/98/939446698.db2.gz FCFRAKRTAZAKDA-JTQLQIEISA-N 2 1 276.340 1.120 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2ccc(O)cc2O)CC[C@@H]1C[NH3+] ZINC001205601409 939907335 /nfs/dbraw/zinc/90/73/35/939907335.db2.gz FGCPVSZWTVNQTE-NWDGAFQWSA-N 2 1 264.369 1.905 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(O)c1O ZINC001205994053 939964737 /nfs/dbraw/zinc/96/47/37/939964737.db2.gz IVUBJFLSMSDZFV-AAEUAGOBSA-N 2 1 294.395 1.913 20 10 CDCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001206633387 940074489 /nfs/dbraw/zinc/07/44/89/940074489.db2.gz XGIRLQDEUTWQRX-SNVBAGLBSA-N 2 1 266.341 1.364 20 10 CDCDMP COC(=O)Cc1ccc(C[N@H+](C)CCC[NH+](C)C)c(O)c1 ZINC001249173776 949443118 /nfs/dbraw/zinc/44/31/18/949443118.db2.gz VWXBOSRBYDVXLP-UHFFFAOYSA-N 2 1 294.395 1.491 20 10 CDCDMP COC(=O)Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(O)c1 ZINC001249173776 949443123 /nfs/dbraw/zinc/44/31/23/949443123.db2.gz VWXBOSRBYDVXLP-UHFFFAOYSA-N 2 1 294.395 1.491 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000388741331 790541069 /nfs/dbraw/zinc/54/10/69/790541069.db2.gz AJCHACQFCXWMED-HNNXBMFYSA-N 2 1 262.353 1.586 20 10 CDCDMP COc1ccc(N2CCC([NH2+][C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000841027611 791073353 /nfs/dbraw/zinc/07/33/53/791073353.db2.gz CWLLNZYFBZIBKJ-QGZVFWFLSA-N 2 1 289.423 1.991 20 10 CDCDMP COC[C@]1(C[NH2+][C@@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000817974391 789915091 /nfs/dbraw/zinc/91/50/91/789915091.db2.gz LCSGZFOGZVXTQW-SWLSCSKDSA-N 2 1 264.369 1.811 20 10 CDCDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC000090721817 791929749 /nfs/dbraw/zinc/92/97/49/791929749.db2.gz CXMFOMKAMQTACE-YPMHNXCESA-N 2 1 264.369 1.973 20 10 CDCDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000090721817 791929756 /nfs/dbraw/zinc/92/97/56/791929756.db2.gz CXMFOMKAMQTACE-YPMHNXCESA-N 2 1 264.369 1.973 20 10 CDCDMP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c1 ZINC000877021590 792868364 /nfs/dbraw/zinc/86/83/64/792868364.db2.gz GRVQEPWCIOAOKF-GJZGRUSLSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(O)c1 ZINC000877021590 792868369 /nfs/dbraw/zinc/86/83/69/792868369.db2.gz GRVQEPWCIOAOKF-GJZGRUSLSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000702638385 794015377 /nfs/dbraw/zinc/01/53/77/794015377.db2.gz YGSQJPZWHCTZDJ-WFASDCNBSA-N 2 1 264.369 1.418 20 10 CDCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000702638385 794015392 /nfs/dbraw/zinc/01/53/92/794015392.db2.gz YGSQJPZWHCTZDJ-WFASDCNBSA-N 2 1 264.369 1.418 20 10 CDCDMP COc1ccc(N2CCC([NH2+][C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000841027610 794458110 /nfs/dbraw/zinc/45/81/10/794458110.db2.gz CWLLNZYFBZIBKJ-KRWDZBQOSA-N 2 1 289.423 1.991 20 10 CDCDMP CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)CC[C@@H]1[NH3+] ZINC000122385678 794898414 /nfs/dbraw/zinc/89/84/14/794898414.db2.gz GVYCIIRBVMDGLD-YPMHNXCESA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226771 795474846 /nfs/dbraw/zinc/47/48/46/795474846.db2.gz ZACXCPIBEHGVTH-SWLSCSKDSA-N 2 1 262.353 1.714 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226771 795474869 /nfs/dbraw/zinc/47/48/69/795474869.db2.gz ZACXCPIBEHGVTH-SWLSCSKDSA-N 2 1 262.353 1.714 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CCOCC[NH3+] ZINC000863651017 796305539 /nfs/dbraw/zinc/30/55/39/796305539.db2.gz GJYRJCBRMBXYTE-UHFFFAOYSA-N 2 1 265.401 1.468 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2O)CC1 ZINC001205209026 918903345 /nfs/dbraw/zinc/90/33/45/918903345.db2.gz HRDAQDJZLXFMEO-CQSZACIVSA-N 2 1 250.342 1.068 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205240486 919361149 /nfs/dbraw/zinc/36/11/49/919361149.db2.gz LENYLLJPMHXIEW-MRXNPFEDSA-N 2 1 293.411 1.134 20 10 CDCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001116449615 919862031 /nfs/dbraw/zinc/86/20/31/919862031.db2.gz RPNOMWYTWWRKIA-IYBDPMFKSA-N 2 1 271.408 1.938 20 10 CDCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1COC1 ZINC001139412891 936618266 /nfs/dbraw/zinc/61/82/66/936618266.db2.gz QZNFBOZBVORMDT-UHFFFAOYSA-N 2 1 289.423 1.517 20 10 CDCDMP Cc1cccc(O)c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104590 941565653 /nfs/dbraw/zinc/56/56/53/941565653.db2.gz IISHNRBLUAOWSA-UHFFFAOYSA-N 2 1 275.396 1.228 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)cc1O ZINC001231638965 942953707 /nfs/dbraw/zinc/95/37/07/942953707.db2.gz JCYDATAYGDYBAM-MRXNPFEDSA-N 2 1 292.379 1.634 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)cc1O ZINC001231638965 942953711 /nfs/dbraw/zinc/95/37/11/942953711.db2.gz JCYDATAYGDYBAM-MRXNPFEDSA-N 2 1 292.379 1.634 20 10 CDCDMP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)cc1O ZINC001231638965 942953715 /nfs/dbraw/zinc/95/37/15/942953715.db2.gz JCYDATAYGDYBAM-MRXNPFEDSA-N 2 1 292.379 1.634 20 10 CDCDMP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)cc1O ZINC001231638965 942953721 /nfs/dbraw/zinc/95/37/21/942953721.db2.gz JCYDATAYGDYBAM-MRXNPFEDSA-N 2 1 292.379 1.634 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001232840933 943417006 /nfs/dbraw/zinc/41/70/06/943417006.db2.gz NFTXMEHMFITFOR-QGZVFWFLSA-N 2 1 289.423 1.986 20 10 CDCDMP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001232840933 943417008 /nfs/dbraw/zinc/41/70/08/943417008.db2.gz NFTXMEHMFITFOR-QGZVFWFLSA-N 2 1 289.423 1.986 20 10 CDCDMP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001232840933 943417011 /nfs/dbraw/zinc/41/70/11/943417011.db2.gz NFTXMEHMFITFOR-QGZVFWFLSA-N 2 1 289.423 1.986 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCCO)cc2F)CC1 ZINC001321047213 959558466 /nfs/dbraw/zinc/55/84/66/959558466.db2.gz UKVWAJUJMAMHIP-UHFFFAOYSA-N 2 1 295.402 1.440 20 10 CDCDMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295959920 274022605 /nfs/dbraw/zinc/02/26/05/274022605.db2.gz LYTBPOHNUDVQEQ-AWEZNQCLSA-N 2 1 278.396 1.937 20 10 CDCDMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2c1c(F)ccc2O ZINC000762787622 576672309 /nfs/dbraw/zinc/67/23/09/576672309.db2.gz MXKLMPVKGIOCSM-SIVJFFJCSA-N 2 1 294.370 1.736 20 10 CDCDMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000762787622 576672311 /nfs/dbraw/zinc/67/23/11/576672311.db2.gz MXKLMPVKGIOCSM-SIVJFFJCSA-N 2 1 294.370 1.736 20 10 CDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000040593301 617418672 /nfs/dbraw/zinc/41/86/72/617418672.db2.gz XNAOJMZQMGPZAA-GFCCVEGCSA-N 2 1 264.369 1.832 20 10 CDCDMP COCC1(C[NH2+]Cc2cccc(F)c2O)CC[NH2+]CC1 ZINC000841067798 618680902 /nfs/dbraw/zinc/68/09/02/618680902.db2.gz FBWBPDKNLITGOY-UHFFFAOYSA-N 2 1 282.359 1.637 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(O)c1 ZINC000904405436 626282107 /nfs/dbraw/zinc/28/21/07/626282107.db2.gz IKZUUAUVKAEPIV-LBPRGKRZSA-N 2 1 264.369 1.962 20 10 CDCDMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000841081346 796905010 /nfs/dbraw/zinc/90/50/10/796905010.db2.gz VBMIGSLHLRNQTA-HNNXBMFYSA-N 2 1 290.455 1.655 20 10 CDCDMP CCOc1ccc(O)c(C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000843051683 797785849 /nfs/dbraw/zinc/78/58/49/797785849.db2.gz CAQIZDHUFZZVCE-UHFFFAOYSA-N 2 1 293.411 1.128 20 10 CDCDMP COc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc(O)c1O ZINC001205095024 913391619 /nfs/dbraw/zinc/39/16/19/913391619.db2.gz SWOZUGUURNOYCY-LLVKDONJSA-N 2 1 266.341 1.420 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(O)c1O ZINC001205095024 913391632 /nfs/dbraw/zinc/39/16/32/913391632.db2.gz SWOZUGUURNOYCY-LLVKDONJSA-N 2 1 266.341 1.420 20 10 CDCDMP COc1cc(C[NH+]2CC=CC2)cc(C[NH+](C)C)c1O ZINC001139252956 936611838 /nfs/dbraw/zinc/61/18/38/936611838.db2.gz GVCIQWXDWSUCHX-UHFFFAOYSA-N 2 1 262.353 1.834 20 10 CDCDMP CN1CCOc2cc(C[N@H+](C)CCC[NH+](C)C)ccc21 ZINC001141139513 936818786 /nfs/dbraw/zinc/81/87/86/936818786.db2.gz VYEDGOBZNVZUTC-UHFFFAOYSA-N 2 1 277.412 1.899 20 10 CDCDMP CN1CCOc2cc(C[N@@H+](C)CCC[NH+](C)C)ccc21 ZINC001141139513 936818788 /nfs/dbraw/zinc/81/87/88/936818788.db2.gz VYEDGOBZNVZUTC-UHFFFAOYSA-N 2 1 277.412 1.899 20 10 CDCDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841029231 936972111 /nfs/dbraw/zinc/97/21/11/936972111.db2.gz MVKZDSKSPMRWFS-NSHDSACASA-N 2 1 266.341 1.728 20 10 CDCDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843058250 937109812 /nfs/dbraw/zinc/10/98/12/937109812.db2.gz QJKKQLMXPUFACJ-VHSXEESVSA-N 2 1 264.325 1.290 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000843126590 937115870 /nfs/dbraw/zinc/11/58/70/937115870.db2.gz KYOKGEFZRDFVRA-YPMHNXCESA-N 2 1 292.379 1.593 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000843126590 937115873 /nfs/dbraw/zinc/11/58/73/937115873.db2.gz KYOKGEFZRDFVRA-YPMHNXCESA-N 2 1 292.379 1.593 20 10 CDCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@](C)(O)C[NH2+]C)cc1 ZINC000846221526 931995738 /nfs/dbraw/zinc/99/57/38/931995738.db2.gz MTQOOCDXYLFZOM-KRWDZBQOSA-N 2 1 293.455 1.935 20 10 CDCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001206563937 936039515 /nfs/dbraw/zinc/03/95/15/936039515.db2.gz LDBQDJCZKSYAAG-OAHLLOKOSA-N 2 1 280.368 1.754 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)CC[C@H]1C[NH3+] ZINC001205627701 939909650 /nfs/dbraw/zinc/90/96/50/939909650.db2.gz RTVLXLSNAMYKTE-NEPJUHHUSA-N 2 1 264.369 1.905 20 10 CDCDMP [NH3+][C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001206197910 939995834 /nfs/dbraw/zinc/99/58/34/939995834.db2.gz KILYULKKVOOJCZ-VHSXEESVSA-N 2 1 270.304 1.065 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001206197910 939995837 /nfs/dbraw/zinc/99/58/37/939995837.db2.gz KILYULKKVOOJCZ-VHSXEESVSA-N 2 1 270.304 1.065 20 10 CDCDMP CCc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234992872 944001489 /nfs/dbraw/zinc/00/14/89/944001489.db2.gz TZZJAFUAPCBRAQ-INIZCTEOSA-N 2 1 275.396 1.092 20 10 CDCDMP COC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001255563696 947987695 /nfs/dbraw/zinc/98/76/95/947987695.db2.gz XAUIOKFUAHSJPM-CYBMUJFWSA-N 2 1 278.396 1.981 20 10 CDCDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(N)cc2)CC1 ZINC001336287006 960288385 /nfs/dbraw/zinc/28/83/85/960288385.db2.gz VYYREKDVOIAWPR-UHFFFAOYSA-N 2 1 290.455 1.632 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843058454 618691717 /nfs/dbraw/zinc/69/17/17/618691717.db2.gz SMLPCBGVLFIBFW-QWRGUYRKSA-N 2 1 250.342 1.570 20 10 CDCDMP COc1ccc(C[N@H+](C)CCC[NH+](C)C)c(O)c1OC ZINC000894449831 618888205 /nfs/dbraw/zinc/88/82/05/618888205.db2.gz QQFSEDANXCWYTM-UHFFFAOYSA-N 2 1 282.384 1.793 20 10 CDCDMP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(O)c1OC ZINC000894449831 618888208 /nfs/dbraw/zinc/88/82/08/618888208.db2.gz QQFSEDANXCWYTM-UHFFFAOYSA-N 2 1 282.384 1.793 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000904406730 626283106 /nfs/dbraw/zinc/28/31/06/626283106.db2.gz VFXTUPASMMMCFD-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406380 626283136 /nfs/dbraw/zinc/28/31/36/626283136.db2.gz RNGNGRYNPZCZOY-NSHDSACASA-N 2 1 250.342 1.572 20 10 CDCDMP COc1c(O)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841084970 628056231 /nfs/dbraw/zinc/05/62/31/628056231.db2.gz RCKMOYHQUSGVMN-MWLCHTKSSA-N 2 1 295.339 1.526 20 10 CDCDMP Cc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1O ZINC000841100169 630579095 /nfs/dbraw/zinc/57/90/95/630579095.db2.gz FCHLDSWZNLHAIX-CYBMUJFWSA-N 2 1 250.342 1.250 20 10 CDCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816570288 811853861 /nfs/dbraw/zinc/85/38/61/811853861.db2.gz PFZJDKSCRQCEKS-QGZVFWFLSA-N 2 1 286.375 1.702 20 10 CDCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816570288 811853862 /nfs/dbraw/zinc/85/38/62/811853862.db2.gz PFZJDKSCRQCEKS-QGZVFWFLSA-N 2 1 286.375 1.702 20 10 CDCDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(F)ccc1O ZINC000817981286 813094822 /nfs/dbraw/zinc/09/48/22/813094822.db2.gz IKLSAESWJCZRQO-PWSUYJOCSA-N 2 1 268.332 1.560 20 10 CDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000040593298 814489784 /nfs/dbraw/zinc/48/97/84/814489784.db2.gz XNAOJMZQMGPZAA-LBPRGKRZSA-N 2 1 264.369 1.832 20 10 CDCDMP C[NH+](C)CCOCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790990028 817313277 /nfs/dbraw/zinc/31/32/77/817313277.db2.gz IFHUEUDBWYIZOI-UHFFFAOYSA-N 2 1 290.766 1.853 20 10 CDCDMP Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000312252376 817406236 /nfs/dbraw/zinc/40/62/36/817406236.db2.gz MVRHEISNKXHLCK-CQSZACIVSA-N 2 1 295.814 1.525 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205095173 913398475 /nfs/dbraw/zinc/39/84/75/913398475.db2.gz UWZSZKPXSAIFGN-LBPRGKRZSA-N 2 1 250.342 1.714 20 10 CDCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000312241573 899686093 /nfs/dbraw/zinc/68/60/93/899686093.db2.gz KDNDQGOYCOSGRP-AWEZNQCLSA-N 2 1 279.359 1.011 20 10 CDCDMP COc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc(O)c1O ZINC001204344814 917948875 /nfs/dbraw/zinc/94/88/75/917948875.db2.gz DRTKIWVLAVULIO-UHFFFAOYSA-N 2 1 292.379 1.634 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205208824 918898272 /nfs/dbraw/zinc/89/82/72/918898272.db2.gz FYQREYYBECIOIM-OAHLLOKOSA-N 2 1 280.368 1.077 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2O)C[C@H]1O ZINC001205973165 939962573 /nfs/dbraw/zinc/96/25/73/939962573.db2.gz JXHWDNDDDLKRNR-GDBMZVCRSA-N 2 1 272.348 1.439 20 10 CDCDMP CN(C)c1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492382 941602310 /nfs/dbraw/zinc/60/23/10/941602310.db2.gz VPPWRHUSKXWMOF-IRXDYDNUSA-N 2 1 288.439 1.278 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492382 941602311 /nfs/dbraw/zinc/60/23/11/941602311.db2.gz VPPWRHUSKXWMOF-IRXDYDNUSA-N 2 1 288.439 1.278 20 10 CDCDMP Oc1cc(Cl)c(F)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234995605 944002623 /nfs/dbraw/zinc/00/26/23/944002623.db2.gz XUAZBCCWGNUUMO-CQSZACIVSA-N 2 1 299.777 1.322 20 10 CDCDMP Oc1cc(Cl)c(F)cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234995604 944003568 /nfs/dbraw/zinc/00/35/68/944003568.db2.gz XUAZBCCWGNUUMO-AWEZNQCLSA-N 2 1 299.777 1.322 20 10 CDCDMP Oc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237402054 944757590 /nfs/dbraw/zinc/75/75/90/944757590.db2.gz GHOBVFCAYPEUGJ-ZWNOBZJWSA-N 2 1 278.352 1.377 20 10 CDCDMP C[C@H](C[NH3+])N(C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001345944913 964866849 /nfs/dbraw/zinc/86/68/49/964866849.db2.gz WQATUFIOKTWMBP-CYBMUJFWSA-N 2 1 294.418 1.357 20 10 CDCDMP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000062745042 391101852 /nfs/dbraw/zinc/10/18/52/391101852.db2.gz VZNQQPUIRCOEOH-ZDUSSCGKSA-N 2 1 295.402 1.819 20 10 CDCDMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc2c(cc1O)CCCC2 ZINC000756554564 576995302 /nfs/dbraw/zinc/99/53/02/576995302.db2.gz IIPNLLLUEPQFPK-SWLSCSKDSA-N 2 1 292.423 1.844 20 10 CDCDMP CCOc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c(O)c1 ZINC000841100201 618682103 /nfs/dbraw/zinc/68/21/03/618682103.db2.gz GLCRXSABLXJKEM-CQSZACIVSA-N 2 1 280.368 1.341 20 10 CDCDMP CCOc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c(O)c1 ZINC000841100201 618682107 /nfs/dbraw/zinc/68/21/07/618682107.db2.gz GLCRXSABLXJKEM-CQSZACIVSA-N 2 1 280.368 1.341 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000904420796 626295038 /nfs/dbraw/zinc/29/50/38/626295038.db2.gz FRSIYNQVONMUBI-UONOGXRCSA-N 2 1 277.387 1.933 20 10 CDCDMP Oc1cc(F)c(F)cc1C[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580887925 1172564492 /nfs/dbraw/zinc/56/44/92/1172564492.db2.gz BBBRNVNWPQXCQK-SNVBAGLBSA-N 2 1 284.306 1.281 20 10 CDCDMP [NH3+]C1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000843047035 818502217 /nfs/dbraw/zinc/50/22/17/818502217.db2.gz DMIQOLQUOAYZBG-UHFFFAOYSA-N 2 1 293.386 1.585 20 10 CDCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000815616389 818830174 /nfs/dbraw/zinc/83/01/74/818830174.db2.gz NKRUKDFDMAXOQX-CJNGLKHVSA-N 2 1 278.396 1.726 20 10 CDCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000815616389 818830177 /nfs/dbraw/zinc/83/01/77/818830177.db2.gz NKRUKDFDMAXOQX-CJNGLKHVSA-N 2 1 278.396 1.726 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1O ZINC000380785340 820001568 /nfs/dbraw/zinc/00/15/68/820001568.db2.gz VJLFTKCZBPXVNJ-BBRMVZONSA-N 2 1 276.380 1.962 20 10 CDCDMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000848557260 820054215 /nfs/dbraw/zinc/05/42/15/820054215.db2.gz DAEHBWWBOXLGAE-UHFFFAOYSA-N 2 1 290.407 1.558 20 10 CDCDMP Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000312252374 820200615 /nfs/dbraw/zinc/20/06/15/820200615.db2.gz MVRHEISNKXHLCK-AWEZNQCLSA-N 2 1 295.814 1.525 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000126905061 820365252 /nfs/dbraw/zinc/36/52/52/820365252.db2.gz SIDALCANVWGRMT-MNOVXSKESA-N 2 1 250.342 1.570 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(O)c1 ZINC000843056917 822340929 /nfs/dbraw/zinc/34/09/29/822340929.db2.gz BUEIKXLDMCAQSZ-VXGBXAGGSA-N 2 1 264.369 1.960 20 10 CDCDMP [NH3+]C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000841088551 822383405 /nfs/dbraw/zinc/38/34/05/822383405.db2.gz ZFTIOAPDVNVDGG-GFCCVEGCSA-N 2 1 278.352 1.728 20 10 CDCDMP COc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841080710 822585676 /nfs/dbraw/zinc/58/56/76/822585676.db2.gz PQADTYFXSCDASU-IAZYJMLFSA-N 2 1 268.744 1.362 20 10 CDCDMP CC(C)(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206530379 917997731 /nfs/dbraw/zinc/99/77/31/917997731.db2.gz HSRHMXLJYXULEV-WFASDCNBSA-N 2 1 278.396 1.441 20 10 CDCDMP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140620578 936732162 /nfs/dbraw/zinc/73/21/62/936732162.db2.gz TVOZDJUKGOQJEC-DOTOQJQBSA-N 2 1 290.407 1.853 20 10 CDCDMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140620578 936732163 /nfs/dbraw/zinc/73/21/63/936732163.db2.gz TVOZDJUKGOQJEC-DOTOQJQBSA-N 2 1 290.407 1.853 20 10 CDCDMP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140620578 936732164 /nfs/dbraw/zinc/73/21/64/936732164.db2.gz TVOZDJUKGOQJEC-DOTOQJQBSA-N 2 1 290.407 1.853 20 10 CDCDMP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140620578 936732165 /nfs/dbraw/zinc/73/21/65/936732165.db2.gz TVOZDJUKGOQJEC-DOTOQJQBSA-N 2 1 290.407 1.853 20 10 CDCDMP c1cc(-c2ccc(N3CC[NH2+]CC3)cc2)c2c([nH+]1)NCC2 ZINC001205600313 939907494 /nfs/dbraw/zinc/90/74/94/939907494.db2.gz KPWFSILOIVYULA-UHFFFAOYSA-N 2 1 280.375 1.769 20 10 CDCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205972844 939963236 /nfs/dbraw/zinc/96/32/36/939963236.db2.gz CCYICWYRONABLY-UKRRQHHQSA-N 2 1 278.396 1.584 20 10 CDCDMP NC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235725659 944261626 /nfs/dbraw/zinc/26/16/26/944261626.db2.gz UARCUPJXYFTBLW-INIZCTEOSA-N 2 1 274.412 1.019 20 10 CDCDMP NC[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235725659 944261631 /nfs/dbraw/zinc/26/16/31/944261631.db2.gz UARCUPJXYFTBLW-INIZCTEOSA-N 2 1 274.412 1.019 20 10 CDCDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1OC ZINC001334964755 959493638 /nfs/dbraw/zinc/49/36/38/959493638.db2.gz JLXNYFYCPDJPKY-WCQYABFASA-N 2 1 294.395 1.982 20 10 CDCDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1OC ZINC001334964755 959493650 /nfs/dbraw/zinc/49/36/50/959493650.db2.gz JLXNYFYCPDJPKY-WCQYABFASA-N 2 1 294.395 1.982 20 10 CDCDMP CCOc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000194539722 391361478 /nfs/dbraw/zinc/36/14/78/391361478.db2.gz NNTJZFWTGBBGHR-OKILXGFUSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1ccc(O)c(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091662442 260266477 /nfs/dbraw/zinc/26/64/77/260266477.db2.gz CAPDFOSQWUAFLH-HIFRSBDPSA-N 2 1 292.379 1.354 20 10 CDCDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccccc2O)CC1 ZINC000729684951 574820966 /nfs/dbraw/zinc/82/09/66/574820966.db2.gz YOGZVFWUTCBYAD-UHFFFAOYSA-N 2 1 277.412 1.509 20 10 CDCDMP CCOCc1cc(C[NH2+]CC2([NH3+])CC2)ccc1OC ZINC000904451216 626300626 /nfs/dbraw/zinc/30/06/26/626300626.db2.gz WUOGJPHFVIYKOJ-UHFFFAOYSA-N 2 1 264.369 1.813 20 10 CDCDMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)ccc1N(C)C ZINC001235984904 1161200687 /nfs/dbraw/zinc/20/06/87/1161200687.db2.gz BMHXKBZNTMIRNX-HOCLYGCPSA-N 2 1 259.397 1.984 20 10 CDCDMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)ccc1N(C)C ZINC001235984904 1161200693 /nfs/dbraw/zinc/20/06/93/1161200693.db2.gz BMHXKBZNTMIRNX-HOCLYGCPSA-N 2 1 259.397 1.984 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000126904343 824133816 /nfs/dbraw/zinc/13/38/16/824133816.db2.gz SIDALCANVWGRMT-WDEREUQCSA-N 2 1 250.342 1.570 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1O ZINC000311701305 824161892 /nfs/dbraw/zinc/16/18/92/824161892.db2.gz MAJHWMPXYDRVRI-YPMHNXCESA-N 2 1 262.353 1.585 20 10 CDCDMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1O ZINC000821392193 825510263 /nfs/dbraw/zinc/51/02/63/825510263.db2.gz VKAHNUVTFVRJLV-AWEZNQCLSA-N 2 1 266.385 1.525 20 10 CDCDMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1O ZINC000821392193 825510283 /nfs/dbraw/zinc/51/02/83/825510283.db2.gz VKAHNUVTFVRJLV-AWEZNQCLSA-N 2 1 266.385 1.525 20 10 CDCDMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000821392193 825510294 /nfs/dbraw/zinc/51/02/94/825510294.db2.gz VKAHNUVTFVRJLV-AWEZNQCLSA-N 2 1 266.385 1.525 20 10 CDCDMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000821392193 825510319 /nfs/dbraw/zinc/51/03/19/825510319.db2.gz VKAHNUVTFVRJLV-AWEZNQCLSA-N 2 1 266.385 1.525 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1O ZINC000380709670 826297708 /nfs/dbraw/zinc/29/77/08/826297708.db2.gz IBMJFCOEVGXBCD-GXTWGEPZSA-N 2 1 276.380 1.975 20 10 CDCDMP COc1cc(Cl)cc(C[N@@H+](C)CCC[NH3+])c1O ZINC000229104850 826351446 /nfs/dbraw/zinc/35/14/46/826351446.db2.gz OOMUIEPBTRNFKG-UHFFFAOYSA-N 2 1 258.749 1.835 20 10 CDCDMP COc1cc(O)c(C[N@@H+](C)CCC[NH3+])cc1OC ZINC000843050797 826863100 /nfs/dbraw/zinc/86/31/00/826863100.db2.gz QCJWIWBUTBPISI-UHFFFAOYSA-N 2 1 254.330 1.190 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206156326 911198871 /nfs/dbraw/zinc/19/88/71/911198871.db2.gz QCEDAGXYLDXWET-QWHCGFSZSA-N 2 1 268.332 1.662 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001169078765 927705286 /nfs/dbraw/zinc/70/52/86/927705286.db2.gz GGWDXDPXNZGGRH-JFILPPLUSA-N 2 1 292.379 1.346 20 10 CDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236067187 944399107 /nfs/dbraw/zinc/39/91/07/944399107.db2.gz NHKQSCZXMXXKEE-INIZCTEOSA-N 3 1 288.439 1.138 20 10 CDCDMP C[NH2+]C[C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236067187 944399110 /nfs/dbraw/zinc/39/91/10/944399110.db2.gz NHKQSCZXMXXKEE-INIZCTEOSA-N 2 1 288.439 1.138 20 10 CDCDMP C[NH+]1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001256195458 948227449 /nfs/dbraw/zinc/22/74/49/948227449.db2.gz WYISWIFNAYXXRY-UHFFFAOYSA-N 2 1 250.342 1.324 20 10 CDCDMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001331419824 957040244 /nfs/dbraw/zinc/04/02/44/957040244.db2.gz SCOCCYCJHJVWTN-VIFPVBQESA-N 2 1 283.328 1.254 20 10 CDCDMP CN1CCN(c2ccc(C[NH2+]CCC(C)(C)[NH3+])cc2)CC1 ZINC000903938911 626151410 /nfs/dbraw/zinc/15/14/10/626151410.db2.gz PXXOFAGZVMCZRZ-UHFFFAOYSA-N 2 1 290.455 1.655 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421364 626295367 /nfs/dbraw/zinc/29/53/67/626295367.db2.gz ZUQKTUGCWIQMKV-GXTWGEPZSA-N 2 1 276.380 1.832 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994774 631473404 /nfs/dbraw/zinc/47/34/04/631473404.db2.gz LWCMKKPMBHETFN-INIZCTEOSA-N 2 1 259.397 1.938 20 10 CDCDMP COc1cc(C)c(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204684912 1160354484 /nfs/dbraw/zinc/35/44/84/1160354484.db2.gz OOXROEPVXXLAIM-UHFFFAOYSA-N 2 1 250.342 1.505 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204684912 1160354489 /nfs/dbraw/zinc/35/44/89/1160354489.db2.gz OOXROEPVXXLAIM-UHFFFAOYSA-N 2 1 250.342 1.505 20 10 CDCDMP Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1O ZINC000035054382 1165743539 /nfs/dbraw/zinc/74/35/39/1165743539.db2.gz HWHKYZSMRRNEEQ-UHFFFAOYSA-N 2 1 262.353 1.814 20 10 CDCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921997921 833016716 /nfs/dbraw/zinc/01/67/16/833016716.db2.gz AGFIIZKAVCMASU-INIZCTEOSA-N 2 1 276.380 1.168 20 10 CDCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921997921 833016720 /nfs/dbraw/zinc/01/67/20/833016720.db2.gz AGFIIZKAVCMASU-INIZCTEOSA-N 2 1 276.380 1.168 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C[NH3+] ZINC000235323164 830752256 /nfs/dbraw/zinc/75/22/56/830752256.db2.gz BGWJHDNBAUKQKF-PWSUYJOCSA-N 2 1 252.333 1.948 20 10 CDCDMP Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CC[NH2+]C1 ZINC000843356397 830753931 /nfs/dbraw/zinc/75/39/31/830753931.db2.gz MWEBEJLKGJITMZ-GOEBONIOSA-N 2 1 290.407 1.983 20 10 CDCDMP CC(C)[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775643603 832254707 /nfs/dbraw/zinc/25/47/07/832254707.db2.gz SJDWNXKQSANREK-UHFFFAOYSA-N 2 1 291.439 1.641 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000386444486 832417127 /nfs/dbraw/zinc/41/71/27/832417127.db2.gz QKSUJMXRWXIXSW-AWEZNQCLSA-N 2 1 250.342 1.572 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1O ZINC000380709671 832712695 /nfs/dbraw/zinc/71/26/95/832712695.db2.gz IBMJFCOEVGXBCD-JSGCOSHPSA-N 2 1 276.380 1.975 20 10 CDCDMP COC[C@]1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000817974192 833977006 /nfs/dbraw/zinc/97/70/06/833977006.db2.gz JDRCWKBLFUYMTL-BLLLJJGKSA-N 2 1 294.395 1.820 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000128108424 834086302 /nfs/dbraw/zinc/08/63/02/834086302.db2.gz SVQFGNJHNMQXCD-YPMHNXCESA-N 2 1 264.369 1.973 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000128108424 834086309 /nfs/dbraw/zinc/08/63/09/834086309.db2.gz SVQFGNJHNMQXCD-YPMHNXCESA-N 2 1 264.369 1.973 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1F ZINC000843051665 834828213 /nfs/dbraw/zinc/82/82/13/834828213.db2.gz BNPGFZBXZYKURI-UHFFFAOYSA-N 2 1 294.418 1.229 20 10 CDCDMP COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206155601 911195064 /nfs/dbraw/zinc/19/50/64/911195064.db2.gz MPTBFYLGRQKJCW-OLZOCXBDSA-N 2 1 268.332 1.662 20 10 CDCDMP Nc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206372205 915772846 /nfs/dbraw/zinc/77/28/46/915772846.db2.gz XUVJFZMDZNEOLS-CQSZACIVSA-N 2 1 251.349 1.922 20 10 CDCDMP Nc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206372205 915772855 /nfs/dbraw/zinc/77/28/55/915772855.db2.gz XUVJFZMDZNEOLS-CQSZACIVSA-N 2 1 251.349 1.922 20 10 CDCDMP N[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1O ZINC001206097001 931161688 /nfs/dbraw/zinc/16/16/88/931161688.db2.gz FAJAGUMYFWWFRI-GDBMZVCRSA-N 2 1 272.348 1.439 20 10 CDCDMP N[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1O ZINC001206097001 931161690 /nfs/dbraw/zinc/16/16/90/931161690.db2.gz FAJAGUMYFWWFRI-GDBMZVCRSA-N 2 1 272.348 1.439 20 10 CDCDMP COc1cc(C[N@H+]2C[C@H](O)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139253035 936304394 /nfs/dbraw/zinc/30/43/94/936304394.db2.gz JGLALCHJCRSALF-BXUZGUMPSA-N 2 1 294.395 1.418 20 10 CDCDMP Cc1cc(C)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205688375 939920326 /nfs/dbraw/zinc/92/03/26/939920326.db2.gz GULVWXHVXKLVJJ-INIZCTEOSA-N 2 1 278.396 1.685 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(O)cc1O ZINC001206012130 939967630 /nfs/dbraw/zinc/96/76/30/939967630.db2.gz JCEHAPKPIDPMNM-NWDGAFQWSA-N 2 1 294.395 1.913 20 10 CDCDMP Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206535232 940055918 /nfs/dbraw/zinc/05/59/18/940055918.db2.gz GTNVMCHSKNECND-JQWIXIFHSA-N 2 1 270.760 1.105 20 10 CDCDMP Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206535232 940055921 /nfs/dbraw/zinc/05/59/21/940055921.db2.gz GTNVMCHSKNECND-JQWIXIFHSA-N 2 1 270.760 1.105 20 10 CDCDMP Oc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1O ZINC001236320910 944470110 /nfs/dbraw/zinc/47/01/10/944470110.db2.gz MFDSGQPXRALERG-PHIMTYICSA-N 2 1 278.352 1.235 20 10 CDCDMP C[C@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246175694 948011251 /nfs/dbraw/zinc/01/12/51/948011251.db2.gz VJDDZEBHMKNGPG-GOEBONIOSA-N 2 1 288.439 1.326 20 10 CDCDMP Oc1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)OCO2 ZINC000252667304 334384568 /nfs/dbraw/zinc/38/45/68/334384568.db2.gz IKDXCZYCSUBXDV-STQMWFEESA-N 2 1 290.363 1.837 20 10 CDCDMP C[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000037248587 523778824 /nfs/dbraw/zinc/77/88/24/523778824.db2.gz SMTLHQJNPAOEFK-UHFFFAOYSA-N 2 1 289.423 1.707 20 10 CDCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(O)c1C ZINC000756554794 576995425 /nfs/dbraw/zinc/99/54/25/576995425.db2.gz JEMUODOSNHXXPQ-CHWSQXEVSA-N 2 1 266.385 1.582 20 10 CDCDMP Oc1ccc(Cl)c(F)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841044387 618678655 /nfs/dbraw/zinc/67/86/55/618678655.db2.gz DQVOZNFALVQRCI-UHFFFAOYSA-N 2 1 287.766 1.180 20 10 CDCDMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902417722 624780679 /nfs/dbraw/zinc/78/06/79/624780679.db2.gz ZJJLTHQKKUFLAF-GFCCVEGCSA-N 2 1 293.386 1.804 20 10 CDCDMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccccc1O ZINC000879649551 835885427 /nfs/dbraw/zinc/88/54/27/835885427.db2.gz VXCVNRDHCJOLOE-OLZOCXBDSA-N 2 1 266.385 1.744 20 10 CDCDMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649551 835885428 /nfs/dbraw/zinc/88/54/28/835885428.db2.gz VXCVNRDHCJOLOE-OLZOCXBDSA-N 2 1 266.385 1.744 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000843056978 836057999 /nfs/dbraw/zinc/05/79/99/836057999.db2.gz DNXOADTUJCAUIU-NWDGAFQWSA-N 2 1 264.369 1.960 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000312074872 837050475 /nfs/dbraw/zinc/05/04/75/837050475.db2.gz JCIRISZGLDBBSY-GOEBONIOSA-N 2 1 259.397 1.936 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000817964895 839706412 /nfs/dbraw/zinc/70/64/12/839706412.db2.gz IQJFFLFDNRITDL-SECBINFHSA-N 2 1 264.325 1.049 20 10 CDCDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000229102641 840236256 /nfs/dbraw/zinc/23/62/56/840236256.db2.gz YILYBYQZBRBXMC-VIFPVBQESA-N 2 1 270.760 1.835 20 10 CDCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000229102641 840236280 /nfs/dbraw/zinc/23/62/80/840236280.db2.gz YILYBYQZBRBXMC-VIFPVBQESA-N 2 1 270.760 1.835 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000843125043 841412376 /nfs/dbraw/zinc/41/23/76/841412376.db2.gz MBFOLMYLNZHUAS-HNNXBMFYSA-N 2 1 290.407 1.888 20 10 CDCDMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000846860663 841932318 /nfs/dbraw/zinc/93/23/18/841932318.db2.gz LMNVHKKTKHGDBT-BBRMVZONSA-N 2 1 279.428 1.716 20 10 CDCDMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000846860663 841932328 /nfs/dbraw/zinc/93/23/28/841932328.db2.gz LMNVHKKTKHGDBT-BBRMVZONSA-N 2 1 279.428 1.716 20 10 CDCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310866889 842031193 /nfs/dbraw/zinc/03/11/93/842031193.db2.gz PXMMARKXAITJNC-CQSZACIVSA-N 2 1 250.317 1.717 20 10 CDCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310866889 842031204 /nfs/dbraw/zinc/03/12/04/842031204.db2.gz PXMMARKXAITJNC-CQSZACIVSA-N 2 1 250.317 1.717 20 10 CDCDMP C[N@@H+](CCOCC[NH3+])Cc1c([O-])ccc(Cl)c1F ZINC000863652675 842800734 /nfs/dbraw/zinc/80/07/34/842800734.db2.gz UFXASBRSXVNEGJ-UHFFFAOYSA-N 2 1 276.739 1.592 20 10 CDCDMP C[N@@H+](CCOCC[NH3+])Cc1c(O)ccc(Cl)c1F ZINC000863652675 842800740 /nfs/dbraw/zinc/80/07/40/842800740.db2.gz UFXASBRSXVNEGJ-UHFFFAOYSA-N 2 1 276.739 1.592 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000702575092 842808408 /nfs/dbraw/zinc/80/84/08/842808408.db2.gz VWCYAEMCJLBLRY-NHYWBVRUSA-N 2 1 280.368 1.118 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000702575092 842808415 /nfs/dbraw/zinc/80/84/15/842808415.db2.gz VWCYAEMCJLBLRY-NHYWBVRUSA-N 2 1 280.368 1.118 20 10 CDCDMP Cc1c(O)ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1O ZINC001140744956 936749048 /nfs/dbraw/zinc/74/90/48/936749048.db2.gz QREHNTUXBDLULN-OCCSQVGLSA-N 2 1 276.380 1.790 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1O ZINC001140744956 936749049 /nfs/dbraw/zinc/74/90/49/936749049.db2.gz QREHNTUXBDLULN-OCCSQVGLSA-N 2 1 276.380 1.790 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1O ZINC001140744956 936749050 /nfs/dbraw/zinc/74/90/50/936749050.db2.gz QREHNTUXBDLULN-OCCSQVGLSA-N 2 1 276.380 1.790 20 10 CDCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(O)ccc3O)C[C@H]2CC1 ZINC001275418604 931783876 /nfs/dbraw/zinc/78/38/76/931783876.db2.gz HVFZVUWGFNNKGL-BETUJISGSA-N 2 1 276.380 1.871 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@H]2CC1 ZINC001275418604 931783878 /nfs/dbraw/zinc/78/38/78/931783878.db2.gz HVFZVUWGFNNKGL-BETUJISGSA-N 2 1 276.380 1.871 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]2CC1 ZINC001275418604 931783880 /nfs/dbraw/zinc/78/38/80/931783880.db2.gz HVFZVUWGFNNKGL-BETUJISGSA-N 2 1 276.380 1.871 20 10 CDCDMP C[N@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001253963539 936184935 /nfs/dbraw/zinc/18/49/35/936184935.db2.gz UNXMXQRPRIOIHE-UHFFFAOYSA-N 2 1 281.375 1.002 20 10 CDCDMP C[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001253963539 936184936 /nfs/dbraw/zinc/18/49/36/936184936.db2.gz UNXMXQRPRIOIHE-UHFFFAOYSA-N 2 1 281.375 1.002 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@H]1C[NH3+] ZINC001205639332 939911016 /nfs/dbraw/zinc/91/10/16/939911016.db2.gz ZAGLNXPHXMWMGD-CMPLNLGQSA-N 2 1 280.368 1.610 20 10 CDCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001205681453 939918105 /nfs/dbraw/zinc/91/81/05/939918105.db2.gz JQBNIHSFJCYPBA-CQSZACIVSA-N 2 1 268.332 1.207 20 10 CDCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001206319150 940017314 /nfs/dbraw/zinc/01/73/14/940017314.db2.gz YJHIOIZDMGFUNU-HNNXBMFYSA-N 2 1 280.368 1.754 20 10 CDCDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000401765653 940879601 /nfs/dbraw/zinc/87/96/01/940879601.db2.gz LKBZMIIXNXXLOC-CYBMUJFWSA-N 2 1 257.337 1.945 20 10 CDCDMP Cc1cccc(O)c1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222511375 941606537 /nfs/dbraw/zinc/60/65/37/941606537.db2.gz WMUOZJMAXGVEKN-GJZGRUSLSA-N 2 1 275.396 1.226 20 10 CDCDMP C[NH+]1CCC2(C[NH+](Cc3cc(O)c(O)c(O)c3)C2)CC1 ZINC001233015664 943463075 /nfs/dbraw/zinc/46/30/75/943463075.db2.gz WGCRQASMHUWXTC-UHFFFAOYSA-N 2 1 278.352 1.331 20 10 CDCDMP CC(C)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234992755 944001148 /nfs/dbraw/zinc/00/11/48/944001148.db2.gz TUGQSGKERWLCJU-KRWDZBQOSA-N 2 1 289.423 1.653 20 10 CDCDMP C[N@H+]1CCC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001254504027 947460107 /nfs/dbraw/zinc/46/01/07/947460107.db2.gz RIOZFJPZHBJVAO-LBPRGKRZSA-N 2 1 280.368 1.420 20 10 CDCDMP C[C@@H](C[NH3+])N(C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001345944915 964867537 /nfs/dbraw/zinc/86/75/37/964867537.db2.gz WQATUFIOKTWMBP-ZDUSSCGKSA-N 2 1 294.418 1.357 20 10 CDCDMP Oc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)OCO2 ZINC000042880165 526337031 /nfs/dbraw/zinc/33/70/31/526337031.db2.gz YMAFTJDCYBECCO-NSHDSACASA-N 2 1 290.363 1.695 20 10 CDCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000762790199 576672856 /nfs/dbraw/zinc/67/28/56/576672856.db2.gz YJJWXLFGLTYPOQ-PBHICJAKSA-N 2 1 291.439 1.860 20 10 CDCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762790199 576672858 /nfs/dbraw/zinc/67/28/58/576672858.db2.gz YJJWXLFGLTYPOQ-PBHICJAKSA-N 2 1 291.439 1.860 20 10 CDCDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841031148 621023689 /nfs/dbraw/zinc/02/36/89/621023689.db2.gz XCWWYAXCTMPKBQ-OAHLLOKOSA-N 2 1 295.402 1.735 20 10 CDCDMP COc1cc(O)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000775748391 844325962 /nfs/dbraw/zinc/32/59/62/844325962.db2.gz XZWHXOWRUOAIKC-TXEJJXNPSA-N 2 1 278.352 1.061 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000775748391 844325969 /nfs/dbraw/zinc/32/59/69/844325969.db2.gz XZWHXOWRUOAIKC-TXEJJXNPSA-N 2 1 278.352 1.061 20 10 CDCDMP CN(C)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000155505424 843262083 /nfs/dbraw/zinc/26/20/83/843262083.db2.gz SDRLPQGGOJFBHE-UHFFFAOYSA-N 2 1 291.439 1.641 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000155505424 843262088 /nfs/dbraw/zinc/26/20/88/843262088.db2.gz SDRLPQGGOJFBHE-UHFFFAOYSA-N 2 1 291.439 1.641 20 10 CDCDMP COc1ccc(O)c(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000843044277 847766738 /nfs/dbraw/zinc/76/67/38/847766738.db2.gz BOCRNZHEFGJHAO-UHFFFAOYSA-N 2 1 250.342 1.585 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000076525534 895256845 /nfs/dbraw/zinc/25/68/45/895256845.db2.gz ARRDEFBKJPQCLI-KRWDZBQOSA-N 2 1 288.439 1.232 20 10 CDCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)c(O)cc1O ZINC001276091685 932518476 /nfs/dbraw/zinc/51/84/76/932518476.db2.gz WXQSMPXJNHLMGV-YHWZYXNKSA-N 2 1 292.379 1.821 20 10 CDCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)c(O)cc1O ZINC001276091685 932518484 /nfs/dbraw/zinc/51/84/84/932518484.db2.gz WXQSMPXJNHLMGV-YHWZYXNKSA-N 2 1 292.379 1.821 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1O ZINC000313060229 941363637 /nfs/dbraw/zinc/36/36/37/941363637.db2.gz UBIXZVAYKNMNSS-OCCSQVGLSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1O ZINC000313060229 941363639 /nfs/dbraw/zinc/36/36/39/941363639.db2.gz UBIXZVAYKNMNSS-OCCSQVGLSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1O ZINC000313060229 941363642 /nfs/dbraw/zinc/36/36/42/941363642.db2.gz UBIXZVAYKNMNSS-OCCSQVGLSA-N 2 1 276.380 1.784 20 10 CDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCNC2(CC2)C1 ZINC001235933076 944324569 /nfs/dbraw/zinc/32/45/69/944324569.db2.gz OGWJJPYVSIELEN-UHFFFAOYSA-N 2 1 286.423 1.034 20 10 CDCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCNC2(CC2)C1 ZINC001235933076 944324576 /nfs/dbraw/zinc/32/45/76/944324576.db2.gz OGWJJPYVSIELEN-UHFFFAOYSA-N 2 1 286.423 1.034 20 10 CDCDMP C[N@H+](Cc1cc2c(cc1O)OCO2)CC1CC[NH+](C)CC1 ZINC000103462121 523183880 /nfs/dbraw/zinc/18/38/80/523183880.db2.gz AQAVFOZEXRWBFC-UHFFFAOYSA-N 2 1 292.379 1.895 20 10 CDCDMP COc1cc(C)cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1O ZINC000894200149 618688236 /nfs/dbraw/zinc/68/82/36/618688236.db2.gz KBQKKUGCHBCLAE-CQSZACIVSA-N 2 1 294.395 1.256 20 10 CDCDMP [O-]c1c(F)cccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120305 698326624 /nfs/dbraw/zinc/32/66/24/698326624.db2.gz DPLQFWMNQNDDEC-AWEZNQCLSA-N 2 1 250.317 1.717 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000843056980 698333193 /nfs/dbraw/zinc/33/31/93/698333193.db2.gz DNXOADTUJCAUIU-VXGBXAGGSA-N 2 1 264.369 1.960 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000817955209 698825799 /nfs/dbraw/zinc/82/57/99/698825799.db2.gz SMFANZUUKVSMOA-NWDGAFQWSA-N 2 1 292.379 1.829 20 10 CDCDMP COc1c(O)c(C[NH2+]C2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843105071 698865761 /nfs/dbraw/zinc/86/57/61/698865761.db2.gz PWBMQTACWOLXGB-UHFFFAOYSA-N 2 1 295.339 1.669 20 10 CDCDMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1O ZINC000717355554 704998955 /nfs/dbraw/zinc/99/89/55/704998955.db2.gz VJEZKOXBXKKGOW-DGCLKSJQSA-N 2 1 252.358 1.355 20 10 CDCDMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000250504252 848539852 /nfs/dbraw/zinc/53/98/52/848539852.db2.gz CCNKSURQSBEUHJ-VXGBXAGGSA-N 2 1 264.369 1.960 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC000843120842 848579427 /nfs/dbraw/zinc/57/94/27/848579427.db2.gz WQQGMOATMXXJPU-INIZCTEOSA-N 2 1 276.380 1.976 20 10 CDCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000717354926 848585770 /nfs/dbraw/zinc/58/57/70/848585770.db2.gz RNCIQEAZWWPKFZ-NEPJUHHUSA-N 2 1 252.358 1.274 20 10 CDCDMP COc1cccc(C[N@H+](C)CCC[NH+](C)C)c1O ZINC000211530028 849512618 /nfs/dbraw/zinc/51/26/18/849512618.db2.gz JPDAVUFSLSJVHL-UHFFFAOYSA-N 2 1 252.358 1.784 20 10 CDCDMP COc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000211530028 849512622 /nfs/dbraw/zinc/51/26/22/849512622.db2.gz JPDAVUFSLSJVHL-UHFFFAOYSA-N 2 1 252.358 1.784 20 10 CDCDMP CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)CC[C@@H]1[NH3+] ZINC000843052844 849844274 /nfs/dbraw/zinc/84/42/74/849844274.db2.gz VRXPTDUUZLXAMP-AAEUAGOBSA-N 2 1 294.395 1.969 20 10 CDCDMP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1c(O)cccc1F ZINC000886599061 850407840 /nfs/dbraw/zinc/40/78/40/850407840.db2.gz PZMRQNQWLDHDCX-LLVKDONJSA-N 2 1 270.348 1.760 20 10 CDCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001205289613 939877579 /nfs/dbraw/zinc/87/75/79/939877579.db2.gz ZQEBTOLEAMLXNR-AWEZNQCLSA-N 2 1 266.341 1.507 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1O ZINC001205967133 939962388 /nfs/dbraw/zinc/96/23/88/939962388.db2.gz JXUQTTJZBWDPDB-IAGOWNOFSA-N 2 1 298.386 1.953 20 10 CDCDMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206183066 939993088 /nfs/dbraw/zinc/99/30/88/939993088.db2.gz FETYTILFGQIPHI-STQMWFEESA-N 2 1 252.333 1.962 20 10 CDCDMP Cc1cccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1O ZINC001231592050 942937825 /nfs/dbraw/zinc/93/78/25/942937825.db2.gz ARHUTBRUDOKCAQ-UHFFFAOYSA-N 2 1 277.412 1.380 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237379316 944738218 /nfs/dbraw/zinc/73/82/18/944738218.db2.gz ATTXYVZFNJJLSY-WFASDCNBSA-N 2 1 276.380 1.975 20 10 CDCDMP Cc1cccc(O)c1C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001237495739 944816716 /nfs/dbraw/zinc/81/67/16/944816716.db2.gz VEIUJOXZMWCBPR-UHFFFAOYSA-N 2 1 275.396 1.132 20 10 CDCDMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001254504774 947460962 /nfs/dbraw/zinc/46/09/62/947460962.db2.gz WFXVEICQTYHIPW-ZDUSSCGKSA-N 2 1 264.369 1.714 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000194535082 391361713 /nfs/dbraw/zinc/36/17/13/391361713.db2.gz WWYNXOMIYDNVMH-BETUJISGSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1ccc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000194535082 391361715 /nfs/dbraw/zinc/36/17/15/391361715.db2.gz WWYNXOMIYDNVMH-BETUJISGSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1ccc(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000194535082 391361716 /nfs/dbraw/zinc/36/17/16/391361716.db2.gz WWYNXOMIYDNVMH-BETUJISGSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1ccc(C[NH2+]C[C@@](C)(O)CN(C)C)cc1C ZINC000228722743 393234996 /nfs/dbraw/zinc/23/49/96/393234996.db2.gz CWTJIZKNASKZOP-OAHLLOKOSA-N 2 1 266.385 1.406 20 10 CDCDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790186 576672764 /nfs/dbraw/zinc/67/27/64/576672764.db2.gz XZZJBQCTCSUADW-SJORKVTESA-N 2 1 291.439 1.860 20 10 CDCDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790186 576672765 /nfs/dbraw/zinc/67/27/65/576672765.db2.gz XZZJBQCTCSUADW-SJORKVTESA-N 2 1 291.439 1.860 20 10 CDCDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889794 618484018 /nfs/dbraw/zinc/48/40/18/618484018.db2.gz VXPHQMWPHMWNCM-CABCVRRESA-N 2 1 293.386 1.632 20 10 CDCDMP COC[C@@]1(C[NH2+]Cc2ccccc2O)CCC[NH2+]1 ZINC000841067915 618680522 /nfs/dbraw/zinc/68/05/22/618680522.db2.gz QOJZIFJOYXMYAY-AWEZNQCLSA-N 2 1 250.342 1.250 20 10 CDCDMP COc1c(O)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057110 618691293 /nfs/dbraw/zinc/69/12/93/618691293.db2.gz BEYFKKPAIHRKSQ-UWVGGRQHSA-N 2 1 295.339 1.478 20 10 CDCDMP COc1c(O)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057110 618691294 /nfs/dbraw/zinc/69/12/94/618691294.db2.gz BEYFKKPAIHRKSQ-UWVGGRQHSA-N 2 1 295.339 1.478 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1F ZINC000841087306 628434883 /nfs/dbraw/zinc/43/48/83/628434883.db2.gz UHSUHPCTTHZSAG-ZDUSSCGKSA-N 2 1 281.375 1.360 20 10 CDCDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(F)ccc1O ZINC000817981284 705559270 /nfs/dbraw/zinc/55/92/70/705559270.db2.gz IKLSAESWJCZRQO-JQWIXIFHSA-N 2 1 268.332 1.560 20 10 CDCDMP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c1 ZINC000877021589 710045476 /nfs/dbraw/zinc/04/54/76/710045476.db2.gz GRVQEPWCIOAOKF-CABCVRRESA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(O)c1 ZINC000877021589 710045486 /nfs/dbraw/zinc/04/54/86/710045486.db2.gz GRVQEPWCIOAOKF-CABCVRRESA-N 2 1 276.380 1.653 20 10 CDCDMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(F)c2O)CC12CCOCC2 ZINC000843124407 710244012 /nfs/dbraw/zinc/24/40/12/710244012.db2.gz AJLNRKVBUNQHLY-ZDUSSCGKSA-N 2 1 294.370 1.719 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC12CCOCC2 ZINC000843124407 710244016 /nfs/dbraw/zinc/24/40/16/710244016.db2.gz AJLNRKVBUNQHLY-ZDUSSCGKSA-N 2 1 294.370 1.719 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000814178568 710349162 /nfs/dbraw/zinc/34/91/62/710349162.db2.gz VNWQETHKGGIYGD-MRXNPFEDSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1cccc(O)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000814178568 710349167 /nfs/dbraw/zinc/34/91/67/710349167.db2.gz VNWQETHKGGIYGD-MRXNPFEDSA-N 2 1 276.380 1.928 20 10 CDCDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843057013 710354790 /nfs/dbraw/zinc/35/47/90/710354790.db2.gz FERAKTLXGSZXRH-ZJUUUORDSA-N 2 1 264.325 1.290 20 10 CDCDMP COc1cccc(O)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000849349748 711536171 /nfs/dbraw/zinc/53/61/71/711536171.db2.gz HYRKNSMKGWLBDF-UHFFFAOYSA-N 2 1 250.342 1.762 20 10 CDCDMP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000090721538 711568274 /nfs/dbraw/zinc/56/82/74/711568274.db2.gz JLYQHVNTVKHADE-WCQYABFASA-N 2 1 264.369 1.973 20 10 CDCDMP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000090721538 711568280 /nfs/dbraw/zinc/56/82/80/711568280.db2.gz JLYQHVNTVKHADE-WCQYABFASA-N 2 1 264.369 1.973 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000817954174 711576384 /nfs/dbraw/zinc/57/63/84/711576384.db2.gz XCASIOSMCYQDPU-VHSXEESVSA-N 2 1 266.341 1.567 20 10 CDCDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817894915 711729837 /nfs/dbraw/zinc/72/98/37/711729837.db2.gz OWCDFCOVHGJGKK-HZPDHXFCSA-N 2 1 275.396 1.493 20 10 CDCDMP CN(C)c1ccc(CNC[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000818942018 711736694 /nfs/dbraw/zinc/73/66/94/711736694.db2.gz VUZZQYXZGSRSEJ-MRXNPFEDSA-N 2 1 277.412 1.297 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@@H](O)CN(C)C2CC2)cc1 ZINC000818942018 711736695 /nfs/dbraw/zinc/73/66/95/711736695.db2.gz VUZZQYXZGSRSEJ-MRXNPFEDSA-N 2 1 277.412 1.297 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000818942018 711736697 /nfs/dbraw/zinc/73/66/97/711736697.db2.gz VUZZQYXZGSRSEJ-MRXNPFEDSA-N 2 1 277.412 1.297 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000818942018 711736698 /nfs/dbraw/zinc/73/66/98/711736698.db2.gz VUZZQYXZGSRSEJ-MRXNPFEDSA-N 2 1 277.412 1.297 20 10 CDCDMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C)cc1O ZINC000794811682 711812365 /nfs/dbraw/zinc/81/23/65/711812365.db2.gz XWCBFVLPBUYHAS-JSGCOSHPSA-N 2 1 266.385 1.664 20 10 CDCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205578658 922902483 /nfs/dbraw/zinc/90/24/83/922902483.db2.gz IFVMHAWISKGEKW-AWEZNQCLSA-N 2 1 284.331 1.456 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)CC[C@H]1F ZINC001206163318 939989054 /nfs/dbraw/zinc/98/90/54/939989054.db2.gz BOLSZZACZJZHJH-VXGBXAGGSA-N 2 1 254.305 1.359 20 10 CDCDMP C[N@H+](Cc1cc(O)c(O)c(O)c1)CC1CC[NH+](C)CC1 ZINC001233012019 943462425 /nfs/dbraw/zinc/46/24/25/943462425.db2.gz HJADUBIWCFKEFA-UHFFFAOYSA-N 2 1 280.368 1.577 20 10 CDCDMP C[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236255232 944439233 /nfs/dbraw/zinc/43/92/33/944439233.db2.gz AZEOGIKVTVBGSW-UHFFFAOYSA-N 2 1 281.375 1.002 20 10 CDCDMP Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237383891 944739664 /nfs/dbraw/zinc/73/96/64/944739664.db2.gz SDQROWGRQZGRNL-SMDDNHRTSA-N 2 1 262.353 1.672 20 10 CDCDMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC001326473278 954397827 /nfs/dbraw/zinc/39/78/27/954397827.db2.gz IIUIGSHALRADPL-QWRGUYRKSA-N 2 1 280.368 1.685 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001579230374 1172121930 /nfs/dbraw/zinc/12/19/30/1172121930.db2.gz JHWVZUDXYXTLBM-YPMHNXCESA-N 2 1 262.353 1.442 20 10 CDCDMP Oc1ccccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000179569372 391211336 /nfs/dbraw/zinc/21/13/36/391211336.db2.gz HSXXMFGHBBZUNV-HNNXBMFYSA-N 2 1 290.407 1.936 20 10 CDCDMP CC[NH+]1CCC([NH2+]Cc2ccc(O)cc2O)CC1 ZINC000038097905 174112240 /nfs/dbraw/zinc/11/22/40/174112240.db2.gz AKBNIXGSCRIZML-UHFFFAOYSA-N 2 1 250.342 1.672 20 10 CDCDMP C[N@@H+](CCOCC[NH3+])Cc1cc(Cl)ccc1O ZINC000699484112 1161145154 /nfs/dbraw/zinc/14/51/54/1161145154.db2.gz XXGADYISLDIMBU-UHFFFAOYSA-N 2 1 258.749 1.453 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C[NH3+] ZINC000841101320 618683035 /nfs/dbraw/zinc/68/30/35/618683035.db2.gz SMTBJTNXRLTOHK-JQWIXIFHSA-N 2 1 278.352 1.538 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843059005 618692543 /nfs/dbraw/zinc/69/25/43/618692543.db2.gz BZOKWDWYVDYOCO-OUCADQQQSA-N 2 1 276.380 1.960 20 10 CDCDMP COc1cccc(C[N@@H+](C)CC(C)(C)C[NH3+])c1O ZINC000093873040 712402671 /nfs/dbraw/zinc/40/26/71/712402671.db2.gz JIWQSYOOAJIVBO-UHFFFAOYSA-N 2 1 252.358 1.818 20 10 CDCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC001205228388 919210887 /nfs/dbraw/zinc/21/08/87/919210887.db2.gz FBQVVACKWGLMDD-CQSZACIVSA-N 2 1 284.787 1.721 20 10 CDCDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@H]21 ZINC000843059903 919384671 /nfs/dbraw/zinc/38/46/71/919384671.db2.gz UGDAGKSQQOVDGJ-RAIGVLPGSA-N 2 1 290.363 1.680 20 10 CDCDMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000841081347 936974657 /nfs/dbraw/zinc/97/46/57/936974657.db2.gz VBMIGSLHLRNQTA-OAHLLOKOSA-N 2 1 290.455 1.655 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCC[C@H]1C[NH3+] ZINC001205994708 927521384 /nfs/dbraw/zinc/52/13/84/927521384.db2.gz MCMXORCUMOSQHZ-AAEUAGOBSA-N 2 1 264.369 1.905 20 10 CDCDMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817979642 930655671 /nfs/dbraw/zinc/65/56/71/930655671.db2.gz CINCVFCBHITNRV-CZUORRHYSA-N 2 1 277.412 1.782 20 10 CDCDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000844902194 931721447 /nfs/dbraw/zinc/72/14/47/931721447.db2.gz KTGLWFJWQYSTKC-LRDDRELGSA-N 2 1 290.363 1.682 20 10 CDCDMP C[NH+](C)CCN1CCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001275912620 932124858 /nfs/dbraw/zinc/12/48/58/932124858.db2.gz DCHXIPAUDXHYIJ-UHFFFAOYSA-N 2 1 293.386 1.353 20 10 CDCDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1 ZINC000090721815 934847886 /nfs/dbraw/zinc/84/78/86/934847886.db2.gz CXMFOMKAMQTACE-WCQYABFASA-N 2 1 264.369 1.973 20 10 CDCDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1 ZINC000090721815 934847888 /nfs/dbraw/zinc/84/78/88/934847888.db2.gz CXMFOMKAMQTACE-WCQYABFASA-N 2 1 264.369 1.973 20 10 CDCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204277896 939751674 /nfs/dbraw/zinc/75/16/74/939751674.db2.gz NWFLOHPHXIYFDP-OKILXGFUSA-N 2 1 276.380 1.871 20 10 CDCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204277896 939751679 /nfs/dbraw/zinc/75/16/79/939751679.db2.gz NWFLOHPHXIYFDP-OKILXGFUSA-N 2 1 276.380 1.871 20 10 CDCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204277896 939751682 /nfs/dbraw/zinc/75/16/82/939751682.db2.gz NWFLOHPHXIYFDP-OKILXGFUSA-N 2 1 276.380 1.871 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1O ZINC001206481631 940046407 /nfs/dbraw/zinc/04/64/07/940046407.db2.gz VQWRHGCMXKXBAM-DOTOQJQBSA-N 2 1 298.386 1.811 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237383466 944741080 /nfs/dbraw/zinc/74/10/80/944741080.db2.gz PFWRZCSEBFGZLH-SWLSCSKDSA-N 2 1 276.380 1.975 20 10 CDCDMP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)N1CC[NH+](C)CC1 ZINC000185364255 357536507 /nfs/dbraw/zinc/53/65/07/357536507.db2.gz MHWWTYPFBQYYNT-CHWSQXEVSA-N 2 1 295.402 1.818 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000179444423 391205582 /nfs/dbraw/zinc/20/55/82/391205582.db2.gz POWFHNUYDCOMMM-GFCCVEGCSA-N 2 1 294.395 1.793 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000179444423 391205583 /nfs/dbraw/zinc/20/55/83/391205583.db2.gz POWFHNUYDCOMMM-GFCCVEGCSA-N 2 1 294.395 1.793 20 10 CDCDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000894377834 618834662 /nfs/dbraw/zinc/83/46/62/618834662.db2.gz IEFYVSIXJYTCGC-UHFFFAOYSA-N 2 1 295.402 1.649 20 10 CDCDMP [NH3+][C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000841049640 621595613 /nfs/dbraw/zinc/59/56/13/621595613.db2.gz MPLURLNEHYFNDV-MRXNPFEDSA-N 2 1 275.396 1.350 20 10 CDCDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000904450814 626300880 /nfs/dbraw/zinc/30/08/80/626300880.db2.gz SXXQJONXTRFYKD-UHFFFAOYSA-N 2 1 261.369 1.104 20 10 CDCDMP CN(C)CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809730067 1163071737 /nfs/dbraw/zinc/07/17/37/1163071737.db2.gz ZABFQMIJNDEKES-UHFFFAOYSA-N 2 1 290.455 1.432 20 10 CDCDMP CN(C)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809730067 1163071745 /nfs/dbraw/zinc/07/17/45/1163071745.db2.gz ZABFQMIJNDEKES-UHFFFAOYSA-N 2 1 290.455 1.432 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000227056305 1161005727 /nfs/dbraw/zinc/00/57/27/1161005727.db2.gz JIUNNCYRRLJJGT-WCQYABFASA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000229102653 912065305 /nfs/dbraw/zinc/06/53/05/912065305.db2.gz YILYBYQZBRBXMC-SECBINFHSA-N 2 1 270.760 1.835 20 10 CDCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000229102653 912065324 /nfs/dbraw/zinc/06/53/24/912065324.db2.gz YILYBYQZBRBXMC-SECBINFHSA-N 2 1 270.760 1.835 20 10 CDCDMP CCOCc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OC ZINC000841077160 936974819 /nfs/dbraw/zinc/97/48/19/936974819.db2.gz BRMVYPOFTVSUQM-FOLVSLTJSA-N 2 1 276.380 1.539 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cc(O)c(O)cc1O)C2 ZINC001169097888 927698946 /nfs/dbraw/zinc/69/89/46/927698946.db2.gz DVYMLTLKXRMVMA-XYYAHUGASA-N 2 1 292.379 1.561 20 10 CDCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001205681052 939916990 /nfs/dbraw/zinc/91/69/90/939916990.db2.gz DWHQEJCWAFBOAY-AWEZNQCLSA-N 2 1 284.787 1.721 20 10 CDCDMP C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308180390 956491310 /nfs/dbraw/zinc/49/13/10/956491310.db2.gz CGJVSIQWKKLDEU-LBPRGKRZSA-N 2 1 281.375 1.048 20 10 CDCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC001320514175 959215707 /nfs/dbraw/zinc/21/57/07/959215707.db2.gz OSSWJTQQXMPPEV-IGCXYCKISA-N 2 1 290.407 1.905 20 10 CDCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC001320514175 959215719 /nfs/dbraw/zinc/21/57/19/959215719.db2.gz OSSWJTQQXMPPEV-IGCXYCKISA-N 2 1 290.407 1.905 20 10 CDCDMP CO[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001350136085 966589607 /nfs/dbraw/zinc/58/96/07/966589607.db2.gz LZMXFJJZOILWOV-CYBMUJFWSA-N 2 1 295.402 1.702 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000126852435 1175510600 /nfs/dbraw/zinc/51/06/00/1175510600.db2.gz RVPXCGSBIIYMAA-MNOVXSKESA-N 2 1 250.342 1.570 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1F ZINC000762569265 576655106 /nfs/dbraw/zinc/65/51/06/576655106.db2.gz RKDXKVFAEUJXPM-OAHLLOKOSA-N 2 1 281.375 1.048 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1F ZINC000762569265 576655107 /nfs/dbraw/zinc/65/51/07/576655107.db2.gz RKDXKVFAEUJXPM-OAHLLOKOSA-N 2 1 281.375 1.048 20 10 CDCDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790184 576672497 /nfs/dbraw/zinc/67/24/97/576672497.db2.gz XZZJBQCTCSUADW-IAGOWNOFSA-N 2 1 291.439 1.860 20 10 CDCDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790184 576672501 /nfs/dbraw/zinc/67/25/01/576672501.db2.gz XZZJBQCTCSUADW-IAGOWNOFSA-N 2 1 291.439 1.860 20 10 CDCDMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(O)c1OC ZINC000892033831 617427526 /nfs/dbraw/zinc/42/75/26/617427526.db2.gz INWXWQMDPFVULB-GFCCVEGCSA-N 2 1 294.395 1.793 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(O)c1OC ZINC000892033831 617427529 /nfs/dbraw/zinc/42/75/29/617427529.db2.gz INWXWQMDPFVULB-GFCCVEGCSA-N 2 1 294.395 1.793 20 10 CDCDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(O)c1OC ZINC000892946459 617952152 /nfs/dbraw/zinc/95/21/52/617952152.db2.gz BSLSUJZCNYCKGA-LBPRGKRZSA-N 2 1 294.395 1.841 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205829395 925359491 /nfs/dbraw/zinc/35/94/91/925359491.db2.gz OVNFEJFAYQVRQF-ZWNOBZJWSA-N 2 1 264.369 1.965 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205829395 925359500 /nfs/dbraw/zinc/35/95/00/925359500.db2.gz OVNFEJFAYQVRQF-ZWNOBZJWSA-N 2 1 264.369 1.965 20 10 CDCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1O)C2 ZINC001275266954 931718139 /nfs/dbraw/zinc/71/81/39/931718139.db2.gz HEALBRPDTRFKGO-ZBFHGGJFSA-N 2 1 289.423 1.460 20 10 CDCDMP Cc1cc(F)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205249352 939842790 /nfs/dbraw/zinc/84/27/90/939842790.db2.gz WYHOMIFUECSKTG-OAHLLOKOSA-N 2 1 282.359 1.515 20 10 CDCDMP Cc1cccc(O)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197687 939996298 /nfs/dbraw/zinc/99/62/98/939996298.db2.gz IZZDKQUHXGCOLA-OLZOCXBDSA-N 2 1 252.333 1.962 20 10 CDCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197689 939996343 /nfs/dbraw/zinc/99/63/43/939996343.db2.gz IZZDKQUHXGCOLA-QWHCGFSZSA-N 2 1 252.333 1.962 20 10 CDCDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516532 940166564 /nfs/dbraw/zinc/16/65/64/940166564.db2.gz GLQGUAXCPLIRSQ-MRXNPFEDSA-N 2 1 292.379 1.721 20 10 CDCDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516532 940166566 /nfs/dbraw/zinc/16/65/66/940166566.db2.gz GLQGUAXCPLIRSQ-MRXNPFEDSA-N 2 1 292.379 1.721 20 10 CDCDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516532 940166567 /nfs/dbraw/zinc/16/65/67/940166567.db2.gz GLQGUAXCPLIRSQ-MRXNPFEDSA-N 2 1 292.379 1.721 20 10 CDCDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516532 940166568 /nfs/dbraw/zinc/16/65/68/940166568.db2.gz GLQGUAXCPLIRSQ-MRXNPFEDSA-N 2 1 292.379 1.721 20 10 CDCDMP C[C@@H](O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001255242436 947788627 /nfs/dbraw/zinc/78/86/27/947788627.db2.gz HNNBXGWKYUGCQU-CYBMUJFWSA-N 2 1 295.402 1.390 20 10 CDCDMP C[C@@H](O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001255242436 947788632 /nfs/dbraw/zinc/78/86/32/947788632.db2.gz HNNBXGWKYUGCQU-CYBMUJFWSA-N 2 1 295.402 1.390 20 10 CDCDMP C[NH+]1CCC(N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256211509 948242642 /nfs/dbraw/zinc/24/26/42/948242642.db2.gz YTLIVSROZNXDLR-UHFFFAOYSA-N 2 1 276.380 1.940 20 10 CDCDMP C[C@@H]1C[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879490 948500027 /nfs/dbraw/zinc/50/00/27/948500027.db2.gz WDVWZXIZDXXJIT-BXUZGUMPSA-N 2 1 276.380 1.987 20 10 CDCDMP C[C@@H]1C[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879490 948500031 /nfs/dbraw/zinc/50/00/31/948500031.db2.gz WDVWZXIZDXXJIT-BXUZGUMPSA-N 2 1 276.380 1.987 20 10 CDCDMP COc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000194539192 391361745 /nfs/dbraw/zinc/36/17/45/391361745.db2.gz KIURFLSTCKYXDI-BETUJISGSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC000194539192 391361749 /nfs/dbraw/zinc/36/17/49/391361749.db2.gz KIURFLSTCKYXDI-BETUJISGSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC000194539192 391361755 /nfs/dbraw/zinc/36/17/55/391361755.db2.gz KIURFLSTCKYXDI-BETUJISGSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1cccc(O)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895299024 619528162 /nfs/dbraw/zinc/52/81/62/619528162.db2.gz FREPZPKGVZJQEE-LLVKDONJSA-N 2 1 252.358 1.831 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420280 626295027 /nfs/dbraw/zinc/29/50/27/626295027.db2.gz JHWVZUDXYXTLBM-WCQYABFASA-N 2 1 262.353 1.442 20 10 CDCDMP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000044527614 630549032 /nfs/dbraw/zinc/54/90/32/630549032.db2.gz JEIJXHXASAMDBR-LBPRGKRZSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1c(O)c(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000841058991 678260244 /nfs/dbraw/zinc/26/02/44/678260244.db2.gz YIGBCUMZKQTLPM-NSHDSACASA-N 2 1 295.339 1.541 20 10 CDCDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843058248 678939298 /nfs/dbraw/zinc/93/92/98/678939298.db2.gz QJKKQLMXPUFACJ-NXEZZACHSA-N 2 1 264.325 1.290 20 10 CDCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000305115041 679350540 /nfs/dbraw/zinc/35/05/40/679350540.db2.gz HOWWSFCEDZKQQC-BBRMVZONSA-N 2 1 279.428 1.716 20 10 CDCDMP COCC[C@@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001579003826 1167697449 /nfs/dbraw/zinc/69/74/49/1167697449.db2.gz LVRXDZAIEGEDOL-CQSZACIVSA-N 2 1 265.401 1.514 20 10 CDCDMP Oc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236319877 914958324 /nfs/dbraw/zinc/95/83/24/914958324.db2.gz GGQBEQRSPKAHFF-TXEJJXNPSA-N 2 1 262.353 1.529 20 10 CDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144509723 931875512 /nfs/dbraw/zinc/87/55/12/931875512.db2.gz JKPIQPXWRMUXTB-MNOVXSKESA-N 2 1 278.352 1.187 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144509723 931875518 /nfs/dbraw/zinc/87/55/18/931875518.db2.gz JKPIQPXWRMUXTB-MNOVXSKESA-N 2 1 278.352 1.187 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144509723 931875523 /nfs/dbraw/zinc/87/55/23/931875523.db2.gz JKPIQPXWRMUXTB-MNOVXSKESA-N 2 1 278.352 1.187 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206175674 939992588 /nfs/dbraw/zinc/99/25/88/939992588.db2.gz XCIGIWRGPYLPCJ-NEPJUHHUSA-N 2 1 268.332 1.667 20 10 CDCDMP Cc1cc(F)cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001236002155 944368113 /nfs/dbraw/zinc/36/81/13/944368113.db2.gz QKJZLBVPEXLJNM-ONXXMXGDSA-N 2 1 280.343 1.245 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)cc1O ZINC001237405943 944758456 /nfs/dbraw/zinc/75/84/56/944758456.db2.gz SKUOFWQAYUACFE-YPMHNXCESA-N 2 1 292.379 1.680 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)cc1O ZINC001237405943 944758459 /nfs/dbraw/zinc/75/84/59/944758459.db2.gz SKUOFWQAYUACFE-YPMHNXCESA-N 2 1 292.379 1.680 20 10 CDCDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[NH2+]C3)cc2F)CC1 ZINC001327387256 954856156 /nfs/dbraw/zinc/85/61/56/954856156.db2.gz QAHLQILBFFAFBM-AWEZNQCLSA-N 2 1 292.402 1.029 20 10 CDCDMP Nc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001335286140 959682447 /nfs/dbraw/zinc/68/24/47/959682447.db2.gz UCHWBJOIAQOQIM-UHFFFAOYSA-N 2 1 288.439 1.482 20 10 CDCDMP Cc1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1O ZINC000282445687 367889972 /nfs/dbraw/zinc/88/99/72/367889972.db2.gz USUKFIKFEJOAPM-UHFFFAOYSA-N 2 1 291.439 1.816 20 10 CDCDMP CCOc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000841085524 628222785 /nfs/dbraw/zinc/22/27/85/628222785.db2.gz GDHFAEOXYMXTIL-AWEZNQCLSA-N 2 1 280.368 1.259 20 10 CDCDMP COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044534243 630549097 /nfs/dbraw/zinc/54/90/97/630549097.db2.gz VEGGSNNFNSEUSL-LBPRGKRZSA-N 2 1 264.369 1.832 20 10 CDCDMP COC[C@]1(C[NH2+][C@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000817974390 681528489 /nfs/dbraw/zinc/52/84/89/681528489.db2.gz LCSGZFOGZVXTQW-IUODEOHRSA-N 2 1 264.369 1.811 20 10 CDCDMP CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000841091862 681875605 /nfs/dbraw/zinc/87/56/05/681875605.db2.gz HULVOGRJUNDWOZ-ZDUSSCGKSA-N 2 1 283.391 1.423 20 10 CDCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000841091862 681875606 /nfs/dbraw/zinc/87/56/06/681875606.db2.gz HULVOGRJUNDWOZ-ZDUSSCGKSA-N 2 1 283.391 1.423 20 10 CDCDMP COc1c(O)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000841059162 682604628 /nfs/dbraw/zinc/60/46/28/682604628.db2.gz ZZFURLNAFYKLOL-MNOVXSKESA-N 2 1 295.339 1.669 20 10 CDCDMP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000817942816 682618650 /nfs/dbraw/zinc/61/86/50/682618650.db2.gz RBLOPVPVWIDRSI-UKPHBRMFSA-N 2 1 290.455 1.825 20 10 CDCDMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843123868 683132404 /nfs/dbraw/zinc/13/24/04/683132404.db2.gz QVVRARIZDCDNMS-LBPRGKRZSA-N 2 1 278.352 1.824 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000382171774 683648055 /nfs/dbraw/zinc/64/80/55/683648055.db2.gz JWCONTIIDRVWLL-OAHLLOKOSA-N 2 1 262.353 1.586 20 10 CDCDMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000843052990 683710749 /nfs/dbraw/zinc/71/07/49/683710749.db2.gz SCMYAICDAHZKFM-SNVBAGLBSA-N 2 1 295.339 1.350 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000843052441 683805699 /nfs/dbraw/zinc/80/56/99/683805699.db2.gz UDJWKNBGRRPBPM-FZMZJTMJSA-N 2 1 264.369 1.960 20 10 CDCDMP CCC[N@@H+](Cc1ccccc1O)C[C@H](O)C[NH+](C)CC ZINC000846807126 683969824 /nfs/dbraw/zinc/96/98/24/683969824.db2.gz AAQLGMHVUHKSIQ-OAHLLOKOSA-N 2 1 280.412 1.917 20 10 CDCDMP CCC[N@H+](Cc1ccccc1O)C[C@H](O)C[NH+](C)CC ZINC000846807126 683969835 /nfs/dbraw/zinc/96/98/35/683969835.db2.gz AAQLGMHVUHKSIQ-OAHLLOKOSA-N 2 1 280.412 1.917 20 10 CDCDMP CCC[NH+](Cc1ccccc1O)C[C@H](O)C[N@H+](C)CC ZINC000846807126 683969844 /nfs/dbraw/zinc/96/98/44/683969844.db2.gz AAQLGMHVUHKSIQ-OAHLLOKOSA-N 2 1 280.412 1.917 20 10 CDCDMP CCC[NH+](Cc1ccccc1O)C[C@H](O)C[N@@H+](C)CC ZINC000846807126 683969853 /nfs/dbraw/zinc/96/98/53/683969853.db2.gz AAQLGMHVUHKSIQ-OAHLLOKOSA-N 2 1 280.412 1.917 20 10 CDCDMP COc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2CN)c1O ZINC001205802129 925078064 /nfs/dbraw/zinc/07/80/64/925078064.db2.gz AARAAIJJFFRHEW-AAEUAGOBSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H](C)CC[C@H]2CN)c1O ZINC001205802129 925078073 /nfs/dbraw/zinc/07/80/73/925078073.db2.gz AARAAIJJFFRHEW-AAEUAGOBSA-N 2 1 264.369 1.960 20 10 CDCDMP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205932569 926461180 /nfs/dbraw/zinc/46/11/80/926461180.db2.gz RTCSUFADDZFRHN-INIZCTEOSA-N 3 1 288.439 1.409 20 10 CDCDMP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205932569 926461185 /nfs/dbraw/zinc/46/11/85/926461185.db2.gz RTCSUFADDZFRHN-INIZCTEOSA-N 3 1 288.439 1.409 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205768919 939934075 /nfs/dbraw/zinc/93/40/75/939934075.db2.gz HFYVTBMJXZGYBD-NSHDSACASA-N 2 1 286.322 1.822 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205768919 939934076 /nfs/dbraw/zinc/93/40/76/939934076.db2.gz HFYVTBMJXZGYBD-NSHDSACASA-N 2 1 286.322 1.822 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206173313 939990592 /nfs/dbraw/zinc/99/05/92/939990592.db2.gz GXPIEOQAHQUWMS-CHWSQXEVSA-N 2 1 252.333 1.962 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206175676 939991627 /nfs/dbraw/zinc/99/16/27/939991627.db2.gz XCIGIWRGPYLPCJ-RYUDHWBXSA-N 2 1 268.332 1.667 20 10 CDCDMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c1C ZINC000762784851 576671414 /nfs/dbraw/zinc/67/14/14/576671414.db2.gz ALRURKXCGZFVJB-BBRMVZONSA-N 2 1 278.396 1.726 20 10 CDCDMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c1C ZINC000762784851 576671416 /nfs/dbraw/zinc/67/14/16/576671416.db2.gz ALRURKXCGZFVJB-BBRMVZONSA-N 2 1 278.396 1.726 20 10 CDCDMP CCOc1cccc(C[NH2+]C[C@]2(COC)CCC[NH2+]2)c1O ZINC000841067212 618680239 /nfs/dbraw/zinc/68/02/39/618680239.db2.gz KSBJTKGVIORROR-INIZCTEOSA-N 2 1 294.395 1.649 20 10 CDCDMP COc1ccc(N2CCC[N@@H+](CCOCC[NH3+])CC2)cc1 ZINC000844221569 684368712 /nfs/dbraw/zinc/36/87/12/684368712.db2.gz GKYBPZJQHGLEAQ-UHFFFAOYSA-N 2 1 293.411 1.183 20 10 CDCDMP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886531004 684868412 /nfs/dbraw/zinc/86/84/12/684868412.db2.gz VAVJJMUGVFOLHD-LLVKDONJSA-N 2 1 282.359 1.639 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843052781 686038777 /nfs/dbraw/zinc/03/87/77/686038777.db2.gz WEAVCUZHBYPHHW-VXGBXAGGSA-N 2 1 264.369 1.960 20 10 CDCDMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000705720938 686433415 /nfs/dbraw/zinc/43/34/15/686433415.db2.gz ZEPNVOWINIKEHR-IUODEOHRSA-N 2 1 262.353 1.036 20 10 CDCDMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000705720938 686433418 /nfs/dbraw/zinc/43/34/18/686433418.db2.gz ZEPNVOWINIKEHR-IUODEOHRSA-N 2 1 262.353 1.036 20 10 CDCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000841091963 687155678 /nfs/dbraw/zinc/15/56/78/687155678.db2.gz IGBDNPVXZFPIIJ-HNNXBMFYSA-N 2 1 265.401 1.284 20 10 CDCDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843052929 687304459 /nfs/dbraw/zinc/30/44/59/687304459.db2.gz PCJILNSGNGNINW-JTQLQIEISA-N 2 1 264.325 1.162 20 10 CDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843052929 687304465 /nfs/dbraw/zinc/30/44/65/687304465.db2.gz PCJILNSGNGNINW-JTQLQIEISA-N 2 1 264.325 1.162 20 10 CDCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000702566579 687651483 /nfs/dbraw/zinc/65/14/83/687651483.db2.gz JWVHRPAEGDBOGW-BBRMVZONSA-N 2 1 277.412 1.470 20 10 CDCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000702566579 687651499 /nfs/dbraw/zinc/65/14/99/687651499.db2.gz JWVHRPAEGDBOGW-BBRMVZONSA-N 2 1 277.412 1.470 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(O)c1 ZINC001579144438 1172105529 /nfs/dbraw/zinc/10/55/29/1172105529.db2.gz GJYOMLCPBNDRRQ-WFASDCNBSA-N 2 1 276.380 1.893 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000394303583 1187289225 /nfs/dbraw/zinc/28/92/25/1187289225.db2.gz VYYNMBFGBNKRGE-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC000394303583 1187289226 /nfs/dbraw/zinc/28/92/26/1187289226.db2.gz VYYNMBFGBNKRGE-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC000394303583 1187289227 /nfs/dbraw/zinc/28/92/27/1187289227.db2.gz VYYNMBFGBNKRGE-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205093657 913351743 /nfs/dbraw/zinc/35/17/43/913351743.db2.gz DGGXTWKOJFHXGJ-LBPRGKRZSA-N 2 1 250.342 1.714 20 10 CDCDMP CC[N@H+](C)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515555 931878534 /nfs/dbraw/zinc/87/85/34/931878534.db2.gz BRFJMSFJQXENPD-UHFFFAOYSA-N 2 1 280.368 1.720 20 10 CDCDMP CC[N@@H+](C)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515555 931878538 /nfs/dbraw/zinc/87/85/38/931878538.db2.gz BRFJMSFJQXENPD-UHFFFAOYSA-N 2 1 280.368 1.720 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205110480 939824212 /nfs/dbraw/zinc/82/42/12/939824212.db2.gz TXQLCEIGIQLAHK-GFCCVEGCSA-N 2 1 250.342 1.719 20 10 CDCDMP Nc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205578416 939905132 /nfs/dbraw/zinc/90/51/32/939905132.db2.gz BGBPPPLEVYSYHG-AWEZNQCLSA-N 2 1 251.349 1.922 20 10 CDCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC000311827440 941336132 /nfs/dbraw/zinc/33/61/32/941336132.db2.gz ONJAXYFDBRFBJH-YPMHNXCESA-N 2 1 264.344 1.915 20 10 CDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC000311827440 941336134 /nfs/dbraw/zinc/33/61/34/941336134.db2.gz ONJAXYFDBRFBJH-YPMHNXCESA-N 2 1 264.344 1.915 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC000311827440 941336138 /nfs/dbraw/zinc/33/61/38/941336138.db2.gz ONJAXYFDBRFBJH-YPMHNXCESA-N 2 1 264.344 1.915 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC000311827440 941336141 /nfs/dbraw/zinc/33/61/41/941336141.db2.gz ONJAXYFDBRFBJH-YPMHNXCESA-N 2 1 264.344 1.915 20 10 CDCDMP Cc1cc(C)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222099569 941565314 /nfs/dbraw/zinc/56/53/14/941565314.db2.gz HZMWVTLAFPAWCI-UHFFFAOYSA-N 2 1 289.423 1.536 20 10 CDCDMP [NH3+]CC1(F)CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001222548249 941612944 /nfs/dbraw/zinc/61/29/44/941612944.db2.gz CTILJFTZPJYWFZ-UHFFFAOYSA-N 2 1 274.286 1.933 20 10 CDCDMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487843 943595103 /nfs/dbraw/zinc/59/51/03/943595103.db2.gz UTUZXWCOJUDUFT-RYUDHWBXSA-N 2 1 278.352 1.187 20 10 CDCDMP Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237403088 944757181 /nfs/dbraw/zinc/75/71/81/944757181.db2.gz JVFNOCHJKKIPGY-FZMZJTMJSA-N 2 1 262.353 1.672 20 10 CDCDMP Oc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237403088 944757187 /nfs/dbraw/zinc/75/71/87/944757187.db2.gz JVFNOCHJKKIPGY-FZMZJTMJSA-N 2 1 262.353 1.672 20 10 CDCDMP Oc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1O ZINC001256065892 948191675 /nfs/dbraw/zinc/19/16/75/948191675.db2.gz IHLPFTCKKYMTAC-INIZCTEOSA-N 2 1 292.379 1.348 20 10 CDCDMP CN(C)c1ccc(C[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253396221 951879466 /nfs/dbraw/zinc/87/94/66/951879466.db2.gz WIMMNIKXWAZDLZ-MRXNPFEDSA-N 2 1 293.455 1.933 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253396221 951879474 /nfs/dbraw/zinc/87/94/74/951879474.db2.gz WIMMNIKXWAZDLZ-MRXNPFEDSA-N 2 1 293.455 1.933 20 10 CDCDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000374286026 391157873 /nfs/dbraw/zinc/15/78/73/391157873.db2.gz WLYQJGLMUPWSJV-MRXNPFEDSA-N 2 1 289.423 1.604 20 10 CDCDMP COc1cccc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000272539155 263006084 /nfs/dbraw/zinc/00/60/84/263006084.db2.gz BWNPYRFSHRAYFB-JSGCOSHPSA-N 2 1 276.380 1.927 20 10 CDCDMP COc1cccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000272539155 263006085 /nfs/dbraw/zinc/00/60/85/263006085.db2.gz BWNPYRFSHRAYFB-JSGCOSHPSA-N 2 1 276.380 1.927 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000841100966 618682161 /nfs/dbraw/zinc/68/21/61/618682161.db2.gz QFTGGCQXJNFPJX-INIZCTEOSA-N 2 1 277.412 1.611 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000841100967 618682558 /nfs/dbraw/zinc/68/25/58/618682558.db2.gz QFTGGCQXJNFPJX-MRXNPFEDSA-N 2 1 277.412 1.611 20 10 CDCDMP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000044527613 630549110 /nfs/dbraw/zinc/54/91/10/630549110.db2.gz JEIJXHXASAMDBR-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841100264 630580961 /nfs/dbraw/zinc/58/09/61/630580961.db2.gz AEBCGSXZAGFICV-NEPJUHHUSA-N 2 1 264.369 1.818 20 10 CDCDMP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000846225351 694017551 /nfs/dbraw/zinc/01/75/51/694017551.db2.gz NCTPAJNDBNPEFS-MRXNPFEDSA-N 2 1 295.427 1.034 20 10 CDCDMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000846225351 694017552 /nfs/dbraw/zinc/01/75/52/694017552.db2.gz NCTPAJNDBNPEFS-MRXNPFEDSA-N 2 1 295.427 1.034 20 10 CDCDMP COc1c(O)c(C[NH2+][C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000841081572 688341595 /nfs/dbraw/zinc/34/15/95/688341595.db2.gz YANHBFZYTUPCHG-JTQLQIEISA-N 2 1 297.355 1.916 20 10 CDCDMP CCOc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)c(O)c1 ZINC000873218192 694312126 /nfs/dbraw/zinc/31/21/26/694312126.db2.gz ZBZNHTQPDHOZAT-UHFFFAOYSA-N 2 1 294.395 1.337 20 10 CDCDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000305109980 692290836 /nfs/dbraw/zinc/29/08/36/692290836.db2.gz FKRTVJBWPYNDQB-IUODEOHRSA-N 2 1 265.401 1.326 20 10 CDCDMP C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1cc(Cl)ccc1[O-] ZINC000817982048 692652582 /nfs/dbraw/zinc/65/25/82/692652582.db2.gz BFZTVXBQWXZLJL-KOLCDFICSA-N 2 1 270.760 1.685 20 10 CDCDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000702596923 693152788 /nfs/dbraw/zinc/15/27/88/693152788.db2.gz MXAZYBNBNQHPBI-GASCZTMLSA-N 2 1 264.344 1.963 20 10 CDCDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000702596923 693152790 /nfs/dbraw/zinc/15/27/90/693152790.db2.gz MXAZYBNBNQHPBI-GASCZTMLSA-N 2 1 264.344 1.963 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000841028238 693345480 /nfs/dbraw/zinc/34/54/80/693345480.db2.gz MZOCMCIPYSPRCU-NSHDSACASA-N 2 1 266.341 1.236 20 10 CDCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(F)ccc1O ZINC000702652926 693442554 /nfs/dbraw/zinc/44/25/54/693442554.db2.gz NRBAWTWARJNHQE-HZMBPMFUSA-N 2 1 268.332 1.249 20 10 CDCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(F)ccc1O ZINC000702652926 693442556 /nfs/dbraw/zinc/44/25/56/693442556.db2.gz NRBAWTWARJNHQE-HZMBPMFUSA-N 2 1 268.332 1.249 20 10 CDCDMP COc1c([O-])c(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843048227 694795369 /nfs/dbraw/zinc/79/53/69/694795369.db2.gz CIURSHGWGOPEJN-VIFPVBQESA-N 2 1 281.312 1.090 20 10 CDCDMP CO[C@@H](C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809717616 694852624 /nfs/dbraw/zinc/85/26/24/694852624.db2.gz KZNOLFGUMKPMJE-HNNXBMFYSA-N 2 1 291.439 1.905 20 10 CDCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(O)c1 ZINC000788593175 694886752 /nfs/dbraw/zinc/88/67/52/694886752.db2.gz FUDIBJIWDKGHQO-CHWSQXEVSA-N 2 1 266.385 1.582 20 10 CDCDMP Cc1cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)ccc1N(C)C ZINC001235984907 1161200930 /nfs/dbraw/zinc/20/09/30/1161200930.db2.gz BMHXKBZNTMIRNX-ZBFHGGJFSA-N 2 1 259.397 1.984 20 10 CDCDMP Cc1cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)ccc1N(C)C ZINC001235984907 1161200934 /nfs/dbraw/zinc/20/09/34/1161200934.db2.gz BMHXKBZNTMIRNX-ZBFHGGJFSA-N 2 1 259.397 1.984 20 10 CDCDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843112047 723166658 /nfs/dbraw/zinc/16/66/58/723166658.db2.gz CUWSVNCTBYMIEC-LLVKDONJSA-N 2 1 278.352 1.682 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000253202393 723395899 /nfs/dbraw/zinc/39/58/99/723395899.db2.gz YVMHBBXRFPNAQF-WCQYABFASA-N 2 1 264.369 1.818 20 10 CDCDMP CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1[NH3+] ZINC000843053665 723632910 /nfs/dbraw/zinc/63/29/10/723632910.db2.gz QBLUCGODVBCCFH-PWSUYJOCSA-N 2 1 278.352 1.680 20 10 CDCDMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1O ZINC000817977845 723672074 /nfs/dbraw/zinc/67/20/74/723672074.db2.gz QKJUTAULMANMNZ-KZVDOYCCSA-N 2 1 250.317 1.790 20 10 CDCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000071141865 723344494 /nfs/dbraw/zinc/34/44/94/723344494.db2.gz JQTFQLKRQPDKHG-NSHDSACASA-N 2 1 250.342 1.442 20 10 CDCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226608080 911698212 /nfs/dbraw/zinc/69/82/12/911698212.db2.gz LCNHOSWJRLKLPS-LLVKDONJSA-N 2 1 252.333 1.963 20 10 CDCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137834442 936417815 /nfs/dbraw/zinc/41/78/15/936417815.db2.gz GXWOLDYXLDMQMC-NEPJUHHUSA-N 2 1 264.344 1.915 20 10 CDCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137834442 936417817 /nfs/dbraw/zinc/41/78/17/936417817.db2.gz GXWOLDYXLDMQMC-NEPJUHHUSA-N 2 1 264.344 1.915 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137834442 936417819 /nfs/dbraw/zinc/41/78/19/936417819.db2.gz GXWOLDYXLDMQMC-NEPJUHHUSA-N 2 1 264.344 1.915 20 10 CDCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137834442 936417820 /nfs/dbraw/zinc/41/78/20/936417820.db2.gz GXWOLDYXLDMQMC-NEPJUHHUSA-N 2 1 264.344 1.915 20 10 CDCDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162594 936823751 /nfs/dbraw/zinc/82/37/51/936823751.db2.gz WRSPDIQWWCWEOI-OKILXGFUSA-N 2 1 276.380 1.871 20 10 CDCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162594 936823753 /nfs/dbraw/zinc/82/37/53/936823753.db2.gz WRSPDIQWWCWEOI-OKILXGFUSA-N 2 1 276.380 1.871 20 10 CDCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162594 936823754 /nfs/dbraw/zinc/82/37/54/936823754.db2.gz WRSPDIQWWCWEOI-OKILXGFUSA-N 2 1 276.380 1.871 20 10 CDCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162594 936823756 /nfs/dbraw/zinc/82/37/56/936823756.db2.gz WRSPDIQWWCWEOI-OKILXGFUSA-N 2 1 276.380 1.871 20 10 CDCDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775702304 924856715 /nfs/dbraw/zinc/85/67/15/924856715.db2.gz OJEGQYLCBRFBPT-QGZVFWFLSA-N 2 1 289.423 1.659 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000817940806 930637737 /nfs/dbraw/zinc/63/77/37/930637737.db2.gz KWOZKUNORLGQMU-LLVKDONJSA-N 2 1 292.379 1.829 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000817968946 930653878 /nfs/dbraw/zinc/65/38/78/930653878.db2.gz ZUAWJBHZRJNERJ-NSHDSACASA-N 2 1 290.363 1.749 20 10 CDCDMP CC[C@H](CO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824533740 931454511 /nfs/dbraw/zinc/45/45/11/931454511.db2.gz MAYPICFAELJDJW-MRXNPFEDSA-N 2 1 291.439 1.641 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206200120 939997184 /nfs/dbraw/zinc/99/71/84/939997184.db2.gz QIOPPGWQUWIHJQ-RYUDHWBXSA-N 2 1 298.358 1.671 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1O ZINC001206622460 940072380 /nfs/dbraw/zinc/07/23/80/940072380.db2.gz CFMVAKGSCACTSZ-LBPRGKRZSA-N 2 1 264.369 1.967 20 10 CDCDMP COc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1O ZINC000312070490 941340990 /nfs/dbraw/zinc/34/09/90/941340990.db2.gz NGSNWXISEBGPEY-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP Cc1ccc(C)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1O ZINC001234988132 943997453 /nfs/dbraw/zinc/99/74/53/943997453.db2.gz QGWGGYVJHHGGGR-MRXNPFEDSA-N 2 1 275.396 1.146 20 10 CDCDMP C[NH+]1CCN(c2ccc(CN3CC[C@@H]([NH3+])C3)cc2F)CC1 ZINC001326221721 954272022 /nfs/dbraw/zinc/27/20/22/954272022.db2.gz JSODVDCJGBGDIP-CQSZACIVSA-N 2 1 292.402 1.111 20 10 CDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000040592716 617418897 /nfs/dbraw/zinc/41/88/97/617418897.db2.gz OZVNDGHRANADNZ-GFCCVEGCSA-N 2 1 264.369 1.832 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000841100267 630584550 /nfs/dbraw/zinc/58/45/50/630584550.db2.gz AEBCGSXZAGFICV-VXGBXAGGSA-N 2 1 264.369 1.818 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000817946011 695309078 /nfs/dbraw/zinc/30/90/78/695309078.db2.gz PXYFITNLIQCGTC-NWDGAFQWSA-N 2 1 292.379 1.829 20 10 CDCDMP CC[C@H]1C[N@@H+](Cc2c(O)cccc2OC)CC[C@H]1[NH3+] ZINC000843053712 695397381 /nfs/dbraw/zinc/39/73/81/695397381.db2.gz SHPGNWWBJUWLTO-WCQYABFASA-N 2 1 264.369 1.960 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1[NH3+] ZINC000843053207 695853275 /nfs/dbraw/zinc/85/32/75/695853275.db2.gz ZGYXZUBKGSYPPR-KOLCDFICSA-N 2 1 264.325 1.290 20 10 CDCDMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000883161077 695893357 /nfs/dbraw/zinc/89/33/57/695893357.db2.gz JCMYEDVHGIXTSN-MRXNPFEDSA-N 2 1 292.423 1.804 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000131457065 724084989 /nfs/dbraw/zinc/08/49/89/724084989.db2.gz WXSGRLGZVMKQLB-CMPLNLGQSA-N 2 1 250.342 1.712 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000776222582 724342737 /nfs/dbraw/zinc/34/27/37/724342737.db2.gz GCCHQJDSNPIZTF-AAEUAGOBSA-N 2 1 294.395 1.982 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000776222582 724342738 /nfs/dbraw/zinc/34/27/38/724342738.db2.gz GCCHQJDSNPIZTF-AAEUAGOBSA-N 2 1 294.395 1.982 20 10 CDCDMP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1O ZINC000219324859 724142020 /nfs/dbraw/zinc/14/20/20/724142020.db2.gz HAYHSQFORMJSKX-LLVKDONJSA-N 2 1 270.348 1.760 20 10 CDCDMP COc1ccc(N(C)CC[N@@H+](C)CCC[NH3+])cc1 ZINC000844903056 725181233 /nfs/dbraw/zinc/18/12/33/725181233.db2.gz ZJKGPVHGZZXFMJ-UHFFFAOYSA-N 2 1 251.374 1.412 20 10 CDCDMP CC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)CC[C@@H]1[NH3+] ZINC000122291823 725206670 /nfs/dbraw/zinc/20/66/70/725206670.db2.gz VBMWMOFDSJSMRZ-RISCZKNCSA-N 2 1 264.369 1.960 20 10 CDCDMP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1O ZINC000219324888 725306126 /nfs/dbraw/zinc/30/61/26/725306126.db2.gz HAYHSQFORMJSKX-NSHDSACASA-N 2 1 270.348 1.760 20 10 CDCDMP Oc1ccc(Cl)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320077 725455469 /nfs/dbraw/zinc/45/54/69/725455469.db2.gz JDOGFVMHDJHUKM-GHMZBOCLSA-N 2 1 252.745 1.697 20 10 CDCDMP CC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)CC[C@H]1[NH3+] ZINC000251657121 725513930 /nfs/dbraw/zinc/51/39/30/725513930.db2.gz GVYCIIRBVMDGLD-WCQYABFASA-N 2 1 264.369 1.960 20 10 CDCDMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])ccc1N(C)C ZINC000923403086 725518897 /nfs/dbraw/zinc/51/88/97/725518897.db2.gz NYFPICPPZWSKPE-UHFFFAOYSA-N 2 1 265.401 1.468 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1C[NH3+] ZINC001205146595 914187624 /nfs/dbraw/zinc/18/76/24/914187624.db2.gz YJSDKRCKZBNKPG-WCBMZHEXSA-N 2 1 270.760 1.778 20 10 CDCDMP CC[N@@H+](CCOC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253206 936611715 /nfs/dbraw/zinc/61/17/15/936611715.db2.gz PWVLLZOHCIICDB-UHFFFAOYSA-N 2 1 296.411 1.931 20 10 CDCDMP CC[N@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1COC1 ZINC001139257562 936611810 /nfs/dbraw/zinc/61/18/10/936611810.db2.gz FHVYOOYOKDXDJN-UHFFFAOYSA-N 2 1 294.395 1.683 20 10 CDCDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1COC1 ZINC001139257562 936611812 /nfs/dbraw/zinc/61/18/12/936611812.db2.gz FHVYOOYOKDXDJN-UHFFFAOYSA-N 2 1 294.395 1.683 20 10 CDCDMP Cc1ccc(C)c(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1O ZINC001140184668 936685254 /nfs/dbraw/zinc/68/52/54/936685254.db2.gz DIXMMTSESJJUEG-UHFFFAOYSA-N 2 1 289.423 1.441 20 10 CDCDMP COc1c(O)c(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000841058990 936973389 /nfs/dbraw/zinc/97/33/89/936973389.db2.gz YIGBCUMZKQTLPM-LLVKDONJSA-N 2 1 295.339 1.541 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205117932 939824613 /nfs/dbraw/zinc/82/46/13/939824613.db2.gz ZFLYDVKOBMJVSG-ZDUSSCGKSA-N 2 1 263.385 1.771 20 10 CDCDMP Cc1cc(F)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205249351 939842912 /nfs/dbraw/zinc/84/29/12/939842912.db2.gz WYHOMIFUECSKTG-HNNXBMFYSA-N 2 1 282.359 1.515 20 10 CDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]1O ZINC001205967762 939962073 /nfs/dbraw/zinc/96/20/73/939962073.db2.gz XGFPYMUWZWPLKZ-ZYHUDNBSSA-N 2 1 290.285 1.305 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]1O ZINC001205967762 939962076 /nfs/dbraw/zinc/96/20/76/939962076.db2.gz XGFPYMUWZWPLKZ-ZYHUDNBSSA-N 2 1 290.285 1.305 20 10 CDCDMP Cc1cc(C)c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222506931 941605255 /nfs/dbraw/zinc/60/52/55/941605255.db2.gz IDCIDGWROVVGAE-HOTGVXAUSA-N 2 1 289.423 1.535 20 10 CDCDMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(O)cc1O ZINC001231633382 942949183 /nfs/dbraw/zinc/94/91/83/942949183.db2.gz NJSTUGVUSBQIDS-YPMHNXCESA-N 2 1 292.379 1.490 20 10 CDCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1 ZINC001232840220 943414983 /nfs/dbraw/zinc/41/49/83/943414983.db2.gz PQDVLGJJCPONJR-OKILXGFUSA-N 2 1 275.396 1.452 20 10 CDCDMP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC001232840220 943414989 /nfs/dbraw/zinc/41/49/89/943414989.db2.gz PQDVLGJJCPONJR-OKILXGFUSA-N 2 1 275.396 1.452 20 10 CDCDMP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c1 ZINC001232840220 943414993 /nfs/dbraw/zinc/41/49/93/943414993.db2.gz PQDVLGJJCPONJR-OKILXGFUSA-N 2 1 275.396 1.452 20 10 CDCDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)CC1 ZINC001233017748 943466542 /nfs/dbraw/zinc/46/65/42/943466542.db2.gz ZYQTVSLQIWTJOG-UHFFFAOYSA-N 2 1 292.379 1.721 20 10 CDCDMP Oc1ccc(F)c(Cl)c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234994477 944001243 /nfs/dbraw/zinc/00/12/43/944001243.db2.gz XMOCERJQNZNIOA-CQSZACIVSA-N 2 1 299.777 1.322 20 10 CDCDMP COc1c(O)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841036455 621206063 /nfs/dbraw/zinc/20/60/63/621206063.db2.gz ODTLZDMCYQSFHI-JTQLQIEISA-N 2 1 295.339 1.398 20 10 CDCDMP CCc1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1O ZINC001578266392 1171856207 /nfs/dbraw/zinc/85/62/07/1171856207.db2.gz HUXYFCXMRQNGQX-MRXNPFEDSA-N 2 1 289.423 1.434 20 10 CDCDMP C[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000817942815 726018251 /nfs/dbraw/zinc/01/82/51/726018251.db2.gz RBLOPVPVWIDRSI-KMFMINBZSA-N 2 1 290.455 1.825 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000817946012 726023491 /nfs/dbraw/zinc/02/34/91/726023491.db2.gz PXYFITNLIQCGTC-RYUDHWBXSA-N 2 1 292.379 1.829 20 10 CDCDMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817970027 726236304 /nfs/dbraw/zinc/23/63/04/726236304.db2.gz JOQBGXUHCWVDMT-NWDGAFQWSA-N 2 1 281.375 1.660 20 10 CDCDMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1O ZINC000717355556 727004826 /nfs/dbraw/zinc/00/48/26/727004826.db2.gz VJEZKOXBXKKGOW-WCQYABFASA-N 2 1 252.358 1.355 20 10 CDCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000843127814 727045367 /nfs/dbraw/zinc/04/53/67/727045367.db2.gz TXVPBGCZLMFSBW-DOMZBBRYSA-N 2 1 276.380 1.975 20 10 CDCDMP COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226770 727094148 /nfs/dbraw/zinc/09/41/48/727094148.db2.gz ZACXCPIBEHGVTH-IUODEOHRSA-N 2 1 262.353 1.714 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226770 727094152 /nfs/dbraw/zinc/09/41/52/727094152.db2.gz ZACXCPIBEHGVTH-IUODEOHRSA-N 2 1 262.353 1.714 20 10 CDCDMP CC(=O)c1cc(F)cc(C[N@@H+](C)CCOCC[NH3+])c1O ZINC000863555092 727141101 /nfs/dbraw/zinc/14/11/01/727141101.db2.gz NNEXHVOWIIIAHG-UHFFFAOYSA-N 2 1 284.331 1.141 20 10 CDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CC[NH2+]C3)C1)OCO2 ZINC000843120428 727380707 /nfs/dbraw/zinc/38/07/07/727380707.db2.gz KMSFNPDKCZZYBL-HNNXBMFYSA-N 2 1 276.336 1.306 20 10 CDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@]3(CC[NH2+]C3)C1)OCO2 ZINC000843120428 727380708 /nfs/dbraw/zinc/38/07/08/727380708.db2.gz KMSFNPDKCZZYBL-HNNXBMFYSA-N 2 1 276.336 1.306 20 10 CDCDMP C[C@@H](O)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701022 727391398 /nfs/dbraw/zinc/39/13/98/727391398.db2.gz ALVMDNBQMWRJBN-OAHLLOKOSA-N 2 1 291.439 1.641 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843118028 727401114 /nfs/dbraw/zinc/40/11/14/727401114.db2.gz ZGEZTWPWWBMFQE-AWEZNQCLSA-N 2 1 250.342 1.572 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC000843120843 727408320 /nfs/dbraw/zinc/40/83/20/727408320.db2.gz WQQGMOATMXXJPU-MRXNPFEDSA-N 2 1 276.380 1.976 20 10 CDCDMP CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C[NH+](C)CC ZINC000846807125 727852940 /nfs/dbraw/zinc/85/29/40/727852940.db2.gz AAQLGMHVUHKSIQ-HNNXBMFYSA-N 2 1 280.412 1.917 20 10 CDCDMP CCC[N@H+](Cc1ccccc1O)C[C@@H](O)C[NH+](C)CC ZINC000846807125 727852943 /nfs/dbraw/zinc/85/29/43/727852943.db2.gz AAQLGMHVUHKSIQ-HNNXBMFYSA-N 2 1 280.412 1.917 20 10 CDCDMP CCC[NH+](Cc1ccccc1O)C[C@@H](O)C[N@H+](C)CC ZINC000846807125 727852945 /nfs/dbraw/zinc/85/29/45/727852945.db2.gz AAQLGMHVUHKSIQ-HNNXBMFYSA-N 2 1 280.412 1.917 20 10 CDCDMP CCC[NH+](Cc1ccccc1O)C[C@@H](O)C[N@@H+](C)CC ZINC000846807125 727852948 /nfs/dbraw/zinc/85/29/48/727852948.db2.gz AAQLGMHVUHKSIQ-HNNXBMFYSA-N 2 1 280.412 1.917 20 10 CDCDMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206277288 914174495 /nfs/dbraw/zinc/17/44/95/914174495.db2.gz QSUGSPLSZRWADT-OAHLLOKOSA-N 3 1 288.439 1.138 20 10 CDCDMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206277288 914174499 /nfs/dbraw/zinc/17/44/99/914174499.db2.gz QSUGSPLSZRWADT-OAHLLOKOSA-N 3 1 288.439 1.138 20 10 CDCDMP Oc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222237950 899965806 /nfs/dbraw/zinc/96/58/06/899965806.db2.gz XUCGDBIRKRICAG-HNNXBMFYSA-N 2 1 262.353 1.816 20 10 CDCDMP Oc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222237950 899965811 /nfs/dbraw/zinc/96/58/11/899965811.db2.gz XUCGDBIRKRICAG-HNNXBMFYSA-N 2 1 262.353 1.816 20 10 CDCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCC1(F)F ZINC001205779116 939935640 /nfs/dbraw/zinc/93/56/40/939935640.db2.gz JTWJXUVYOTUDFY-JTQLQIEISA-N 2 1 272.295 1.514 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(O)ccc2O)CCC1(F)F ZINC001205779116 939935642 /nfs/dbraw/zinc/93/56/42/939935642.db2.gz JTWJXUVYOTUDFY-JTQLQIEISA-N 2 1 272.295 1.514 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205789429 939937374 /nfs/dbraw/zinc/93/73/74/939937374.db2.gz ZIVBLNZMTSNSTB-LBPRGKRZSA-N 2 1 299.365 1.874 20 10 CDCDMP C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1[NH3+] ZINC001205880474 939950272 /nfs/dbraw/zinc/95/02/72/939950272.db2.gz IUCSBQBZFFHNLW-RISCZKNCSA-N 2 1 263.385 1.627 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1[NH3+] ZINC001205880474 939950273 /nfs/dbraw/zinc/95/02/73/939950273.db2.gz IUCSBQBZFFHNLW-RISCZKNCSA-N 2 1 263.385 1.627 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c2ccccc21 ZINC001205945747 939959332 /nfs/dbraw/zinc/95/93/32/939959332.db2.gz DRLFRSREIUQENG-SJLPKXTDSA-N 2 1 299.418 1.800 20 10 CDCDMP CC[C@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235773298 944272575 /nfs/dbraw/zinc/27/25/75/944272575.db2.gz UJTULAINBPBCTH-INIZCTEOSA-N 2 1 288.439 1.280 20 10 CDCDMP CC[C@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235773298 944272581 /nfs/dbraw/zinc/27/25/81/944272581.db2.gz UJTULAINBPBCTH-INIZCTEOSA-N 2 1 288.439 1.280 20 10 CDCDMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(O)c1O ZINC001236314327 944464178 /nfs/dbraw/zinc/46/41/78/944464178.db2.gz AXZRBOBCWWDYJP-BETUJISGSA-N 2 1 292.379 1.538 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](C)[C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246902769 948510128 /nfs/dbraw/zinc/51/01/28/948510128.db2.gz UOANQJSNKFXHRG-INIZCTEOSA-N 2 1 288.439 1.278 20 10 CDCDMP CCOc1ccc(C[NH2+]C[C@]2(COC)CCC[NH2+]2)c(O)c1 ZINC000841067222 618679943 /nfs/dbraw/zinc/67/99/43/618679943.db2.gz LHKKLPVKCOSEJR-INIZCTEOSA-N 2 1 294.395 1.649 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843058452 618691938 /nfs/dbraw/zinc/69/19/38/618691938.db2.gz SMLPCBGVLFIBFW-GHMZBOCLSA-N 2 1 250.342 1.570 20 10 CDCDMP COc1cccc(C[NH2+][C@@H](C[NH3+])CC(C)C)c1O ZINC000841038891 621532266 /nfs/dbraw/zinc/53/22/66/621532266.db2.gz TXKDHTMSIWHHRE-GFCCVEGCSA-N 2 1 252.358 1.864 20 10 CDCDMP COc1cccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000846166669 728766503 /nfs/dbraw/zinc/76/65/03/728766503.db2.gz ZLBIPFJYUNHNGO-NHYWBVRUSA-N 2 1 280.368 1.118 20 10 CDCDMP COc1cccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000846166669 728766507 /nfs/dbraw/zinc/76/65/07/728766507.db2.gz ZLBIPFJYUNHNGO-NHYWBVRUSA-N 2 1 280.368 1.118 20 10 CDCDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843044045 729014270 /nfs/dbraw/zinc/01/42/70/729014270.db2.gz AXOSKVFGANMIHF-LBPRGKRZSA-N 2 1 294.395 1.841 20 10 CDCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843044045 729014272 /nfs/dbraw/zinc/01/42/72/729014272.db2.gz AXOSKVFGANMIHF-LBPRGKRZSA-N 2 1 294.395 1.841 20 10 CDCDMP Oc1cccc2c1[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000386753999 729285143 /nfs/dbraw/zinc/28/51/43/729285143.db2.gz FAAGUCOJEFLZBH-SOUVJXGZSA-N 2 1 288.391 1.832 20 10 CDCDMP Oc1cccc2c1[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC000386753999 729285144 /nfs/dbraw/zinc/28/51/44/729285144.db2.gz FAAGUCOJEFLZBH-SOUVJXGZSA-N 2 1 288.391 1.832 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]1O ZINC001206481443 917679555 /nfs/dbraw/zinc/67/95/55/917679555.db2.gz TYLXLLANQHHVRN-JOYOIKCWSA-N 2 1 290.285 1.162 20 10 CDCDMP COc1cc(O)c(C[N@@H+](C)C2CC([NH3+])C2)cc1OC ZINC000843125433 937115300 /nfs/dbraw/zinc/11/53/00/937115300.db2.gz WLUMUTLHXDJYNC-UHFFFAOYSA-N 2 1 266.341 1.331 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000843126588 937115778 /nfs/dbraw/zinc/11/57/78/937115778.db2.gz KYOKGEFZRDFVRA-DGCLKSJQSA-N 2 1 292.379 1.593 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000843126588 937115779 /nfs/dbraw/zinc/11/57/79/937115779.db2.gz KYOKGEFZRDFVRA-DGCLKSJQSA-N 2 1 292.379 1.593 20 10 CDCDMP COc1cc(C[N@@H+](C)C2CCN(C)CC2)c(O)cc1O ZINC001231633040 942950027 /nfs/dbraw/zinc/95/00/27/942950027.db2.gz LQMSFTDXIFMXSR-UHFFFAOYSA-N 2 1 280.368 1.632 20 10 CDCDMP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)c(O)cc1O ZINC001231633040 942950034 /nfs/dbraw/zinc/95/00/34/942950034.db2.gz LQMSFTDXIFMXSR-UHFFFAOYSA-N 2 1 280.368 1.632 20 10 CDCDMP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)c(O)cc1O ZINC001231633040 942950040 /nfs/dbraw/zinc/95/00/40/942950040.db2.gz LQMSFTDXIFMXSR-UHFFFAOYSA-N 2 1 280.368 1.632 20 10 CDCDMP Oc1ccc2ccccc2c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234986574 943996868 /nfs/dbraw/zinc/99/68/68/943996868.db2.gz DSGJCXASURGWMK-SFHVURJKSA-N 2 1 297.402 1.683 20 10 CDCDMP Oc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237402049 944757478 /nfs/dbraw/zinc/75/74/78/944757478.db2.gz GHOBVFCAYPEUGJ-GWCFXTLKSA-N 2 1 278.352 1.377 20 10 CDCDMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(O)c1 ZINC000843057532 618691031 /nfs/dbraw/zinc/69/10/31/618691031.db2.gz JLPTXSNSWAKTMP-RYUDHWBXSA-N 2 1 264.369 1.960 20 10 CDCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000815616391 730479163 /nfs/dbraw/zinc/47/91/63/730479163.db2.gz NKRUKDFDMAXOQX-XJKSGUPXSA-N 2 1 278.396 1.726 20 10 CDCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000815616391 730479167 /nfs/dbraw/zinc/47/91/67/730479167.db2.gz NKRUKDFDMAXOQX-XJKSGUPXSA-N 2 1 278.396 1.726 20 10 CDCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000717354930 732626768 /nfs/dbraw/zinc/62/67/68/732626768.db2.gz RNCIQEAZWWPKFZ-RYUDHWBXSA-N 2 1 252.358 1.274 20 10 CDCDMP COc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(OC)c1 ZINC001141029023 936794100 /nfs/dbraw/zinc/79/41/00/936794100.db2.gz HUIXEFPNGKVHKP-TXEJJXNPSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(OC)c1 ZINC001141029023 936794102 /nfs/dbraw/zinc/79/41/02/936794102.db2.gz HUIXEFPNGKVHKP-TXEJJXNPSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(OC)c1 ZINC001141029023 936794103 /nfs/dbraw/zinc/79/41/03/936794103.db2.gz HUIXEFPNGKVHKP-TXEJJXNPSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(OC)c1 ZINC001141029023 936794105 /nfs/dbraw/zinc/79/41/05/936794105.db2.gz HUIXEFPNGKVHKP-TXEJJXNPSA-N 2 1 292.379 1.403 20 10 CDCDMP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c(N)n3)cc2)CC1 ZINC001156658007 938402077 /nfs/dbraw/zinc/40/20/77/938402077.db2.gz QLYGXBVNWNVNOM-UHFFFAOYSA-N 2 1 298.394 1.423 20 10 CDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001205124346 939825371 /nfs/dbraw/zinc/82/53/71/939825371.db2.gz OQRFOPQIMQUKMV-AWEZNQCLSA-N 3 1 291.395 1.187 20 10 CDCDMP [NH3+][C@H]1CCCN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001205124346 939825373 /nfs/dbraw/zinc/82/53/73/939825373.db2.gz OQRFOPQIMQUKMV-AWEZNQCLSA-N 2 1 291.395 1.187 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206173315 939990566 /nfs/dbraw/zinc/99/05/66/939990566.db2.gz GXPIEOQAHQUWMS-QWHCGFSZSA-N 2 1 252.333 1.962 20 10 CDCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206481222 940046565 /nfs/dbraw/zinc/04/65/65/940046565.db2.gz PPBCTHIWDNDZSX-SWLSCSKDSA-N 2 1 278.396 1.441 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222502463 941604454 /nfs/dbraw/zinc/60/44/54/941604454.db2.gz KSHXVSSUIVGFKF-GJZGRUSLSA-N 2 1 275.396 1.226 20 10 CDCDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487844 943595656 /nfs/dbraw/zinc/59/56/56/943595656.db2.gz UTUZXWCOJUDUFT-TXEJJXNPSA-N 2 1 278.352 1.187 20 10 CDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487844 943595659 /nfs/dbraw/zinc/59/56/59/943595659.db2.gz UTUZXWCOJUDUFT-TXEJJXNPSA-N 2 1 278.352 1.187 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487844 943595664 /nfs/dbraw/zinc/59/56/64/943595664.db2.gz UTUZXWCOJUDUFT-TXEJJXNPSA-N 2 1 278.352 1.187 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487844 943595667 /nfs/dbraw/zinc/59/56/67/943595667.db2.gz UTUZXWCOJUDUFT-TXEJJXNPSA-N 2 1 278.352 1.187 20 10 CDCDMP NC[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236246013 944436631 /nfs/dbraw/zinc/43/66/31/944436631.db2.gz UARCUPJXYFTBLW-MRXNPFEDSA-N 2 1 274.412 1.019 20 10 CDCDMP NC[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236246013 944436633 /nfs/dbraw/zinc/43/66/33/944436633.db2.gz UARCUPJXYFTBLW-MRXNPFEDSA-N 2 1 274.412 1.019 20 10 CDCDMP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC001253209530 951809002 /nfs/dbraw/zinc/80/90/02/951809002.db2.gz GDIFGVOZAWIGIR-INIZCTEOSA-N 2 1 279.428 1.545 20 10 CDCDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1OC ZINC001334964756 959494489 /nfs/dbraw/zinc/49/44/89/959494489.db2.gz JLXNYFYCPDJPKY-YPMHNXCESA-N 2 1 294.395 1.982 20 10 CDCDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1OC ZINC001334964756 959494497 /nfs/dbraw/zinc/49/44/97/959494497.db2.gz JLXNYFYCPDJPKY-YPMHNXCESA-N 2 1 294.395 1.982 20 10 CDCDMP CCOc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000770394717 575445146 /nfs/dbraw/zinc/44/51/46/575445146.db2.gz LGTZSHMVQHDSPZ-BETUJISGSA-N 2 1 262.353 1.442 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000817970873 734900959 /nfs/dbraw/zinc/90/09/59/734900959.db2.gz GNAFJKRNKBGUPO-NTZNESFSSA-N 2 1 292.379 1.970 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000128108224 735097028 /nfs/dbraw/zinc/09/70/28/735097028.db2.gz SVQFGNJHNMQXCD-WCQYABFASA-N 2 1 264.369 1.973 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000128108224 735097030 /nfs/dbraw/zinc/09/70/30/735097030.db2.gz SVQFGNJHNMQXCD-WCQYABFASA-N 2 1 264.369 1.973 20 10 CDCDMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205093656 913353050 /nfs/dbraw/zinc/35/30/50/913353050.db2.gz DGGXTWKOJFHXGJ-GFCCVEGCSA-N 2 1 250.342 1.714 20 10 CDCDMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000401763691 936887516 /nfs/dbraw/zinc/88/75/16/936887516.db2.gz JXELCBRYCYUGEU-UHFFFAOYSA-N 2 1 257.337 1.687 20 10 CDCDMP CCOc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205725779 924718838 /nfs/dbraw/zinc/71/88/38/924718838.db2.gz KXYBEPCPKAHTDH-INIZCTEOSA-N 2 1 294.395 1.467 20 10 CDCDMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(O)cc1O ZINC001206631922 937202897 /nfs/dbraw/zinc/20/28/97/937202897.db2.gz CVXSQPBPVKDQAM-LLVKDONJSA-N 2 1 280.368 1.667 20 10 CDCDMP [NH3+]C[C@H]1CN(Cc2c([O-])cccc2F)CCC1(F)F ZINC001205762829 939933437 /nfs/dbraw/zinc/93/34/37/939933437.db2.gz NPRGTYJGLGIFHY-VIFPVBQESA-N 2 1 274.286 1.947 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)CCC[C@@H]1C[NH3+] ZINC001206003353 939966265 /nfs/dbraw/zinc/96/62/65/939966265.db2.gz HAUAMIHRQXEEJO-VXGBXAGGSA-N 2 1 264.369 1.905 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206175675 939992417 /nfs/dbraw/zinc/99/24/17/939992417.db2.gz XCIGIWRGPYLPCJ-NWDGAFQWSA-N 2 1 268.332 1.667 20 10 CDCDMP Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(O)c1 ZINC001236314177 944464210 /nfs/dbraw/zinc/46/42/10/944464210.db2.gz JMBFQDSZYFKGCJ-TXEJJXNPSA-N 2 1 262.353 1.529 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237385091 944743748 /nfs/dbraw/zinc/74/37/48/944743748.db2.gz ZXWWHFPJWFDZEK-TZMCWYRMSA-N 2 1 276.380 1.975 20 10 CDCDMP COc1ccc(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cc1C ZINC001253408905 951894758 /nfs/dbraw/zinc/89/47/58/951894758.db2.gz LYFPAUBNODXSSX-AWEZNQCLSA-N 2 1 280.412 1.842 20 10 CDCDMP C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCC[NH+](C)C1 ZINC000092253865 327191013 /nfs/dbraw/zinc/19/10/13/327191013.db2.gz HMGHMABGFJSLLC-LBPRGKRZSA-N 2 1 292.379 1.895 20 10 CDCDMP C[NH+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000092253865 327191015 /nfs/dbraw/zinc/19/10/15/327191015.db2.gz HMGHMABGFJSLLC-LBPRGKRZSA-N 2 1 292.379 1.895 20 10 CDCDMP C[NH+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253865 327191016 /nfs/dbraw/zinc/19/10/16/327191016.db2.gz HMGHMABGFJSLLC-LBPRGKRZSA-N 2 1 292.379 1.895 20 10 CDCDMP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252673815 334384750 /nfs/dbraw/zinc/38/47/50/334384750.db2.gz MNKSUBBOFJJVEM-GJZGRUSLSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252673815 334384753 /nfs/dbraw/zinc/38/47/53/334384753.db2.gz MNKSUBBOFJJVEM-GJZGRUSLSA-N 2 1 276.380 1.653 20 10 CDCDMP C[NH2+]CCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000841102873 618683137 /nfs/dbraw/zinc/68/31/37/618683137.db2.gz APRZKRADOKJNDA-UHFFFAOYSA-N 2 1 252.314 1.162 20 10 CDCDMP C[NH2+]CCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000841102873 618683139 /nfs/dbraw/zinc/68/31/39/618683139.db2.gz APRZKRADOKJNDA-UHFFFAOYSA-N 2 1 252.314 1.162 20 10 CDCDMP C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)C1C[NH2+]C1 ZINC000902517033 624916163 /nfs/dbraw/zinc/91/61/63/624916163.db2.gz JELWTGSLWGVKGK-CXAGYDPISA-N 2 1 290.455 1.553 20 10 CDCDMP Oc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420921 626295386 /nfs/dbraw/zinc/29/53/86/626295386.db2.gz YNOVLMYOXJFRDU-CMPLNLGQSA-N 2 1 250.317 1.573 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000382171771 736605977 /nfs/dbraw/zinc/60/59/77/736605977.db2.gz JWCONTIIDRVWLL-HNNXBMFYSA-N 2 1 262.353 1.586 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000050245078 736660730 /nfs/dbraw/zinc/66/07/30/736660730.db2.gz DYIBZIQQZSGJPE-LLVKDONJSA-N 2 1 250.342 1.572 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000253184043 738047591 /nfs/dbraw/zinc/04/75/91/738047591.db2.gz HBBXTSLMFPTHAG-WCQYABFASA-N 2 1 264.369 1.818 20 10 CDCDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000843058249 738048402 /nfs/dbraw/zinc/04/84/02/738048402.db2.gz QJKKQLMXPUFACJ-UWVGGRQHSA-N 2 1 264.325 1.290 20 10 CDCDMP Cc1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1O ZINC000843122129 738696307 /nfs/dbraw/zinc/69/63/07/738696307.db2.gz KYZYVPBVAOYNLB-OAHLLOKOSA-N 2 1 275.396 1.180 20 10 CDCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000312241575 738719627 /nfs/dbraw/zinc/71/96/27/738719627.db2.gz KDNDQGOYCOSGRP-CQSZACIVSA-N 2 1 279.359 1.011 20 10 CDCDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817894913 738798952 /nfs/dbraw/zinc/79/89/52/738798952.db2.gz OWCDFCOVHGJGKK-CVEARBPZSA-N 2 1 275.396 1.493 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000388741334 736961651 /nfs/dbraw/zinc/96/16/51/736961651.db2.gz AJCHACQFCXWMED-OAHLLOKOSA-N 2 1 262.353 1.586 20 10 CDCDMP C[NH+](C)CCOCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708535645 737759532 /nfs/dbraw/zinc/75/95/32/737759532.db2.gz OMPJNDPWYGIUOB-UHFFFAOYSA-N 2 1 274.311 1.338 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205095020 913392564 /nfs/dbraw/zinc/39/25/64/913392564.db2.gz SVDAGETVDUQGSL-GFCCVEGCSA-N 2 1 250.342 1.714 20 10 CDCDMP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000841047774 936973168 /nfs/dbraw/zinc/97/31/68/936973168.db2.gz CTJUPXGXTOXQNC-AWEZNQCLSA-N 2 1 276.428 1.123 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)C[C@@H]1O ZINC001206535650 940056832 /nfs/dbraw/zinc/05/68/32/940056832.db2.gz PBXVQRKPBCXUKO-HOCLYGCPSA-N 2 1 272.348 1.297 20 10 CDCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@H]2CC1 ZINC001276517022 940167632 /nfs/dbraw/zinc/16/76/32/940167632.db2.gz ZQFIUNYNDIZMQR-TXEJJXNPSA-N 2 1 292.379 1.577 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@H]2CC1 ZINC001276517022 940167634 /nfs/dbraw/zinc/16/76/34/940167634.db2.gz ZQFIUNYNDIZMQR-TXEJJXNPSA-N 2 1 292.379 1.577 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@H]2CC1 ZINC001276517022 940167637 /nfs/dbraw/zinc/16/76/37/940167637.db2.gz ZQFIUNYNDIZMQR-TXEJJXNPSA-N 2 1 292.379 1.577 20 10 CDCDMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233014919 943462988 /nfs/dbraw/zinc/46/29/88/943462988.db2.gz FHCCBCJLUUKGKA-UHFFFAOYSA-N 2 1 278.352 1.331 20 10 CDCDMP CCOc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1O ZINC000037267144 173077970 /nfs/dbraw/zinc/07/79/70/173077970.db2.gz WKZJIJGSRMJFGA-UHFFFAOYSA-N 2 1 264.369 1.975 20 10 CDCDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2O)CCCO1 ZINC000277951006 524947897 /nfs/dbraw/zinc/94/78/97/524947897.db2.gz RMFTWJYSVYSYDR-CQSZACIVSA-N 2 1 278.396 1.983 20 10 CDCDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768448669 576284693 /nfs/dbraw/zinc/28/46/93/576284693.db2.gz WDCNPTTUZIFLJZ-NHYWBVRUSA-N 2 1 292.379 1.202 20 10 CDCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768448669 576284696 /nfs/dbraw/zinc/28/46/96/576284696.db2.gz WDCNPTTUZIFLJZ-NHYWBVRUSA-N 2 1 292.379 1.202 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1O ZINC000897681157 621070505 /nfs/dbraw/zinc/07/05/05/621070505.db2.gz PSEQVDCADKMKKR-RHSMWYFYSA-N 2 1 289.423 1.251 20 10 CDCDMP COc1ccc(O)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044534241 630549415 /nfs/dbraw/zinc/54/94/15/630549415.db2.gz VEGGSNNFNSEUSL-GFCCVEGCSA-N 2 1 264.369 1.832 20 10 CDCDMP CN(C)c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1F ZINC000841027680 739859124 /nfs/dbraw/zinc/85/91/24/739859124.db2.gz FFYSJLCFDRLRFF-CYBMUJFWSA-N 2 1 251.349 1.719 20 10 CDCDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000386482266 740255576 /nfs/dbraw/zinc/25/55/76/740255576.db2.gz INJSJFVKZOEIPW-ZWNOBZJWSA-N 2 1 250.317 1.715 20 10 CDCDMP Oc1ccc(F)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000386482266 740255581 /nfs/dbraw/zinc/25/55/81/740255581.db2.gz INJSJFVKZOEIPW-ZWNOBZJWSA-N 2 1 250.317 1.715 20 10 CDCDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c(O)c1 ZINC000788593176 742169373 /nfs/dbraw/zinc/16/93/73/742169373.db2.gz FUDIBJIWDKGHQO-OLZOCXBDSA-N 2 1 266.385 1.582 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000817961848 739809948 /nfs/dbraw/zinc/80/99/48/739809948.db2.gz DOSBEZKGQHUCGR-VHSXEESVSA-N 2 1 266.341 1.424 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000818942017 740951880 /nfs/dbraw/zinc/95/18/80/740951880.db2.gz VUZZQYXZGSRSEJ-INIZCTEOSA-N 2 1 277.412 1.297 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000818942017 740951886 /nfs/dbraw/zinc/95/18/86/740951886.db2.gz VUZZQYXZGSRSEJ-INIZCTEOSA-N 2 1 277.412 1.297 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000877022714 741760868 /nfs/dbraw/zinc/76/08/68/741760868.db2.gz QPNZZALTXCWWNW-KBPBESRZSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000877022714 741760892 /nfs/dbraw/zinc/76/08/92/741760892.db2.gz QPNZZALTXCWWNW-KBPBESRZSA-N 2 1 276.380 1.653 20 10 CDCDMP [NH3+][C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841051859 742304292 /nfs/dbraw/zinc/30/42/92/742304292.db2.gz ZNCQRYBWOCRLAA-OAHLLOKOSA-N 2 1 293.386 1.489 20 10 CDCDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846699517 742814890 /nfs/dbraw/zinc/81/48/90/742814890.db2.gz UCJNJBZCZOAQCY-KOLCDFICSA-N 2 1 264.325 1.433 20 10 CDCDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846699517 742814891 /nfs/dbraw/zinc/81/48/91/742814891.db2.gz UCJNJBZCZOAQCY-KOLCDFICSA-N 2 1 264.325 1.433 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c(OC)c1 ZINC001205109083 913666990 /nfs/dbraw/zinc/66/69/90/913666990.db2.gz ALRGNMXMXJNJOG-NSHDSACASA-N 2 1 280.368 1.723 20 10 CDCDMP Cc1cc(C)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205240765 919366880 /nfs/dbraw/zinc/36/68/80/919366880.db2.gz NXWVYYNDLUVXHD-MRXNPFEDSA-N 2 1 278.396 1.685 20 10 CDCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001205683461 924437115 /nfs/dbraw/zinc/43/71/15/924437115.db2.gz ZGVPGVBQEHUANG-CQSZACIVSA-N 2 1 284.787 1.721 20 10 CDCDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841028860 936971823 /nfs/dbraw/zinc/97/18/23/936971823.db2.gz JCAQTZBDSRCLKT-CYBMUJFWSA-N 2 1 253.365 1.965 20 10 CDCDMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)cc1O ZINC001205145834 939828438 /nfs/dbraw/zinc/82/84/38/939828438.db2.gz JMLUKTMKQUFNPW-GXSJLCMTSA-N 2 1 266.341 1.133 20 10 CDCDMP Cc1cccc(O)c1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205726162 939927875 /nfs/dbraw/zinc/92/78/75/939927875.db2.gz PKSKBGWSQGJABN-HNNXBMFYSA-N 2 1 264.369 1.376 20 10 CDCDMP Cc1cc(F)cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222510618 941606764 /nfs/dbraw/zinc/60/67/64/941606764.db2.gz AZMVDPFXGVTUQO-GJZGRUSLSA-N 2 1 293.386 1.366 20 10 CDCDMP C[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001255422555 947868530 /nfs/dbraw/zinc/86/85/30/947868530.db2.gz ZGCIXBGIKBIUGN-INIZCTEOSA-N 2 1 289.423 1.650 20 10 CDCDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)C[NH3+] ZINC001328682393 955414487 /nfs/dbraw/zinc/41/44/87/955414487.db2.gz SKRXTHIOCJUSEQ-HNNXBMFYSA-N 2 1 263.385 1.038 20 10 CDCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(N)cc1 ZINC001345159338 964610200 /nfs/dbraw/zinc/61/02/00/964610200.db2.gz GLVHDQFPPRSGFF-IXDOHACOSA-N 2 1 289.423 1.952 20 10 CDCDMP COc1cccc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1O ZINC000112839330 366159176 /nfs/dbraw/zinc/15/91/76/366159176.db2.gz IIECCQHOAXMGTC-KGLIPLIRSA-N 2 1 292.379 1.354 20 10 CDCDMP C[NH2+]CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841041493 618677089 /nfs/dbraw/zinc/67/70/89/618677089.db2.gz IODVNXZELMDXKM-UHFFFAOYSA-N 2 1 269.301 1.008 20 10 CDCDMP COC[C@@]1(C[NH2+]Cc2cccc(OC)c2O)CCC[NH2+]1 ZINC000841067217 618679898 /nfs/dbraw/zinc/67/98/98/618679898.db2.gz KUJGWNDFSLROOL-HNNXBMFYSA-N 2 1 280.368 1.259 20 10 CDCDMP COc1c(O)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841032737 621026530 /nfs/dbraw/zinc/02/65/30/621026530.db2.gz JOJSPRJGQUSHFA-SNVBAGLBSA-N 2 1 295.339 1.398 20 10 CDCDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000904406115 626282820 /nfs/dbraw/zinc/28/28/20/626282820.db2.gz PRDAALHIWSYXRU-JTQLQIEISA-N 2 1 264.325 1.292 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(O)c1 ZINC001579145341 1172105854 /nfs/dbraw/zinc/10/58/54/1172105854.db2.gz YGDBUZCXWYNRFK-GFCCVEGCSA-N 2 1 264.369 1.880 20 10 CDCDMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817972596 742874387 /nfs/dbraw/zinc/87/43/87/742874387.db2.gz YFJFCZNAZIUBEI-RYUDHWBXSA-N 2 1 281.375 1.660 20 10 CDCDMP CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)CC[C@@H]1[NH3+] ZINC000122292059 742994097 /nfs/dbraw/zinc/99/40/97/742994097.db2.gz VBMWMOFDSJSMRZ-FZMZJTMJSA-N 2 1 264.369 1.960 20 10 CDCDMP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1O ZINC000841086068 743384091 /nfs/dbraw/zinc/38/40/91/743384091.db2.gz LMOJEUBRZZJQKQ-CYBMUJFWSA-N 2 1 280.368 1.259 20 10 CDCDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843115107 745694230 /nfs/dbraw/zinc/69/42/30/745694230.db2.gz GURSAZSUOSNQBI-QGZVFWFLSA-N 2 1 289.423 1.694 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000126851987 747332514 /nfs/dbraw/zinc/33/25/14/747332514.db2.gz RVPXCGSBIIYMAA-GHMZBOCLSA-N 2 1 250.342 1.570 20 10 CDCDMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273577 748515645 /nfs/dbraw/zinc/51/56/45/748515645.db2.gz OUEYHNGUKOZHOB-OAHLLOKOSA-N 2 1 292.427 1.210 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000817977380 748568905 /nfs/dbraw/zinc/56/89/05/748568905.db2.gz JBNBVKFWWOPKQQ-WDEREUQCSA-N 2 1 280.368 1.957 20 10 CDCDMP C[N@H+](Cc1ccc(O)c(O)c1)CC1CC[NH+](C)CC1 ZINC001203878640 939710743 /nfs/dbraw/zinc/71/07/43/939710743.db2.gz JHLYFXVLUPWNCN-UHFFFAOYSA-N 2 1 264.369 1.871 20 10 CDCDMP CCOc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205247798 939842318 /nfs/dbraw/zinc/84/23/18/939842318.db2.gz JLRWABRYPFJWTH-MRXNPFEDSA-N 2 1 294.395 1.467 20 10 CDCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@H]1O ZINC001206490377 940048564 /nfs/dbraw/zinc/04/85/64/940048564.db2.gz BBEPTMHZVSMPTN-JOYOIKCWSA-N 2 1 290.285 1.162 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@H]1O ZINC001206490377 940048567 /nfs/dbraw/zinc/04/85/67/940048567.db2.gz BBEPTMHZVSMPTN-JOYOIKCWSA-N 2 1 290.285 1.162 20 10 CDCDMP Nc1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023769 944014553 /nfs/dbraw/zinc/01/45/53/944014553.db2.gz WYIFIZFGXPLJEW-MRXNPFEDSA-N 2 1 275.396 1.471 20 10 CDCDMP Nc1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023769 944014559 /nfs/dbraw/zinc/01/45/59/944014559.db2.gz WYIFIZFGXPLJEW-MRXNPFEDSA-N 2 1 275.396 1.471 20 10 CDCDMP Oc1ccc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237403093 944756305 /nfs/dbraw/zinc/75/63/05/944756305.db2.gz JVFNOCHJKKIPGY-SMDDNHRTSA-N 2 1 262.353 1.672 20 10 CDCDMP Oc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237403093 944756313 /nfs/dbraw/zinc/75/63/13/944756313.db2.gz JVFNOCHJKKIPGY-SMDDNHRTSA-N 2 1 262.353 1.672 20 10 CDCDMP COc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c(OC)c1 ZINC001237678597 944922909 /nfs/dbraw/zinc/92/29/09/944922909.db2.gz PPSGTCVSYMFCEM-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c(OC)c1 ZINC001237678597 944922916 /nfs/dbraw/zinc/92/29/16/944922916.db2.gz PPSGTCVSYMFCEM-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)c(OC)c1 ZINC001237678597 944922919 /nfs/dbraw/zinc/92/29/19/944922919.db2.gz PPSGTCVSYMFCEM-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP COc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c(OC)c1 ZINC001237678597 944922921 /nfs/dbraw/zinc/92/29/21/944922921.db2.gz PPSGTCVSYMFCEM-BETUJISGSA-N 2 1 292.379 1.403 20 10 CDCDMP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001348515021 966035297 /nfs/dbraw/zinc/03/52/97/966035297.db2.gz IMFHQSGFBQMGOS-ZDUSSCGKSA-N 3 1 294.418 1.404 20 10 CDCDMP COc1c(O)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843056951 618691282 /nfs/dbraw/zinc/69/12/82/618691282.db2.gz DCSRJWJQSMDUFD-VHSXEESVSA-N 2 1 295.339 1.478 20 10 CDCDMP COc1c(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843056951 618691284 /nfs/dbraw/zinc/69/12/84/618691284.db2.gz DCSRJWJQSMDUFD-VHSXEESVSA-N 2 1 295.339 1.478 20 10 CDCDMP [NH3+][C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000841049639 621595642 /nfs/dbraw/zinc/59/56/42/621595642.db2.gz MPLURLNEHYFNDV-INIZCTEOSA-N 2 1 275.396 1.350 20 10 CDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843051622 749903760 /nfs/dbraw/zinc/90/37/60/749903760.db2.gz ACRMWGPGZUYHFI-LLVKDONJSA-N 2 1 280.368 1.451 20 10 CDCDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817979640 750855320 /nfs/dbraw/zinc/85/53/20/750855320.db2.gz CINCVFCBHITNRV-CJNGLKHVSA-N 2 1 277.412 1.782 20 10 CDCDMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000090720546 752914691 /nfs/dbraw/zinc/91/46/91/752914691.db2.gz LLOXYNQZLBDAQZ-PWSUYJOCSA-N 2 1 278.352 1.693 20 10 CDCDMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000090720546 752914704 /nfs/dbraw/zinc/91/47/04/752914704.db2.gz LLOXYNQZLBDAQZ-PWSUYJOCSA-N 2 1 278.352 1.693 20 10 CDCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC000311079222 899320973 /nfs/dbraw/zinc/32/09/73/899320973.db2.gz WIPCHXBAQONXKP-GFCCVEGCSA-N 2 1 250.342 1.659 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001169078768 927705235 /nfs/dbraw/zinc/70/52/35/927705235.db2.gz GGWDXDPXNZGGRH-ZWUHOBOKSA-N 2 1 292.379 1.346 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001169078767 927706164 /nfs/dbraw/zinc/70/61/64/927706164.db2.gz GGWDXDPXNZGGRH-OQMKEHIESA-N 2 1 292.379 1.346 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CCC[C@H]1C[NH3+] ZINC001206012215 928115160 /nfs/dbraw/zinc/11/51/60/928115160.db2.gz JDFOMIIOOWPSPC-PWSUYJOCSA-N 2 1 280.368 1.610 20 10 CDCDMP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(O)c1O ZINC001204347368 939759512 /nfs/dbraw/zinc/75/95/12/939759512.db2.gz RKVPFNLKVMYTLK-OLZOCXBDSA-N 2 1 292.379 1.490 20 10 CDCDMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(O)c1O ZINC001204347368 939759514 /nfs/dbraw/zinc/75/95/14/939759514.db2.gz RKVPFNLKVMYTLK-OLZOCXBDSA-N 2 1 292.379 1.490 20 10 CDCDMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc(O)c1O ZINC001204347368 939759516 /nfs/dbraw/zinc/75/95/16/939759516.db2.gz RKVPFNLKVMYTLK-OLZOCXBDSA-N 2 1 292.379 1.490 20 10 CDCDMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc(O)c1O ZINC001204347368 939759517 /nfs/dbraw/zinc/75/95/17/939759517.db2.gz RKVPFNLKVMYTLK-OLZOCXBDSA-N 2 1 292.379 1.490 20 10 CDCDMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001205124347 939825357 /nfs/dbraw/zinc/82/53/57/939825357.db2.gz OQRFOPQIMQUKMV-CQSZACIVSA-N 3 1 291.395 1.187 20 10 CDCDMP [NH3+][C@@H]1CCCN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001205124347 939825360 /nfs/dbraw/zinc/82/53/60/939825360.db2.gz OQRFOPQIMQUKMV-CQSZACIVSA-N 2 1 291.395 1.187 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC001205140145 939827262 /nfs/dbraw/zinc/82/72/62/939827262.db2.gz ATRPJWIRBKEBBX-JOYOIKCWSA-N 2 1 250.342 1.433 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1C[NH3+] ZINC001205141195 939827628 /nfs/dbraw/zinc/82/76/28/939827628.db2.gz YGIXHDZJIUGPNN-GXTWGEPZSA-N 2 1 275.396 1.542 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(O)cc1O ZINC001206012129 939967197 /nfs/dbraw/zinc/96/71/97/939967197.db2.gz JCEHAPKPIDPMNM-NEPJUHHUSA-N 2 1 294.395 1.913 20 10 CDCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197686 939995894 /nfs/dbraw/zinc/99/58/94/939995894.db2.gz IZZDKQUHXGCOLA-CHWSQXEVSA-N 2 1 252.333 1.962 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1OC ZINC001206200121 939997532 /nfs/dbraw/zinc/99/75/32/939997532.db2.gz QIOPPGWQUWIHJQ-VXGBXAGGSA-N 2 1 298.358 1.671 20 10 CDCDMP Cc1cc(C)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234986208 943995656 /nfs/dbraw/zinc/99/56/56/943995656.db2.gz CAZHTNSHMYSUAS-MRXNPFEDSA-N 2 1 275.396 1.146 20 10 CDCDMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(O)c1 ZINC000388424847 944146866 /nfs/dbraw/zinc/14/68/66/944146866.db2.gz QCEHSMMKUSAGQX-LBPRGKRZSA-N 2 1 264.369 1.962 20 10 CDCDMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC001326473276 954397479 /nfs/dbraw/zinc/39/74/79/954397479.db2.gz IIUIGSHALRADPL-GHMZBOCLSA-N 2 1 280.368 1.685 20 10 CDCDMP CC[NH2+]CCNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327416474 954868929 /nfs/dbraw/zinc/86/89/29/954868929.db2.gz SVPBTTFDWUUEFV-UHFFFAOYSA-N 2 1 294.418 1.277 20 10 CDCDMP CN(CCC[N@@H+](C)Cc1cc(F)ccc1O)CC[NH+](C)C ZINC000290267023 524061108 /nfs/dbraw/zinc/06/11/08/524061108.db2.gz XLFGGMIGTHZXMC-UHFFFAOYSA-N 2 1 297.418 1.847 20 10 CDCDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000858245310 754244709 /nfs/dbraw/zinc/24/47/09/754244709.db2.gz PUFMWUYUMMMFAG-GFCCVEGCSA-N 2 1 292.379 1.942 20 10 CDCDMP c1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc2c1OCC2 ZINC000841085622 754854990 /nfs/dbraw/zinc/85/49/90/754854990.db2.gz JAEPXEOBVMDLBT-AWEZNQCLSA-N 2 1 262.353 1.090 20 10 CDCDMP COc1ccc(N2CCC[N@@H+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844221336 754886223 /nfs/dbraw/zinc/88/62/23/754886223.db2.gz DDXNBNZOOUYKAS-HNNXBMFYSA-N 2 1 289.423 1.817 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000840930886 755815511 /nfs/dbraw/zinc/81/55/11/755815511.db2.gz PRIHSQUQQADEIQ-QGZVFWFLSA-N 2 1 291.439 1.607 20 10 CDCDMP COc1cccc(O)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843127742 756221071 /nfs/dbraw/zinc/22/10/71/756221071.db2.gz SXXMIESPAOAYDT-AAEUAGOBSA-N 2 1 262.353 1.585 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843127742 756221084 /nfs/dbraw/zinc/22/10/84/756221084.db2.gz SXXMIESPAOAYDT-AAEUAGOBSA-N 2 1 262.353 1.585 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000817969589 756502215 /nfs/dbraw/zinc/50/22/15/756502215.db2.gz XVNCDPZIMIPTTI-YPMHNXCESA-N 2 1 292.379 1.972 20 10 CDCDMP CC1([NH3+])CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000843107977 756607139 /nfs/dbraw/zinc/60/71/39/756607139.db2.gz QPGZSPKNUPHJBA-UHFFFAOYSA-N 2 1 264.325 1.434 20 10 CDCDMP C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825104120 756619324 /nfs/dbraw/zinc/61/93/24/756619324.db2.gz NZONYDBPAXNMGA-RHSMWYFYSA-N 2 1 289.423 1.394 20 10 CDCDMP COc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1O ZINC000723689485 756781475 /nfs/dbraw/zinc/78/14/75/756781475.db2.gz GSOFIKWPTFHVBF-NSHDSACASA-N 2 1 250.342 1.572 20 10 CDCDMP COc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000090721540 757443468 /nfs/dbraw/zinc/44/34/68/757443468.db2.gz JLYQHVNTVKHADE-AAEUAGOBSA-N 2 1 264.369 1.973 20 10 CDCDMP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000090721540 757443495 /nfs/dbraw/zinc/44/34/95/757443495.db2.gz JLYQHVNTVKHADE-AAEUAGOBSA-N 2 1 264.369 1.973 20 10 CDCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(F)ccc1O ZINC000702652938 757807462 /nfs/dbraw/zinc/80/74/62/757807462.db2.gz NRBAWTWARJNHQE-YGRLFVJLSA-N 2 1 268.332 1.249 20 10 CDCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(F)ccc1O ZINC000702652938 757807463 /nfs/dbraw/zinc/80/74/63/757807463.db2.gz NRBAWTWARJNHQE-YGRLFVJLSA-N 2 1 268.332 1.249 20 10 CDCDMP COC[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC[NH2+]1 ZINC000817975032 757848016 /nfs/dbraw/zinc/84/80/16/757848016.db2.gz QBFFNHNNGLXKHD-XJKSGUPXSA-N 2 1 276.380 1.738 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139252982 936611823 /nfs/dbraw/zinc/61/18/23/936611823.db2.gz HPYUWOFCTNUHSF-CQSZACIVSA-N 2 1 294.395 1.419 20 10 CDCDMP C[N@H+](C1CC1)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515758 931880498 /nfs/dbraw/zinc/88/04/98/931880498.db2.gz XTPWKJPGWHIARX-UHFFFAOYSA-N 2 1 292.379 1.862 20 10 CDCDMP C[N@@H+](C1CC1)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515758 931880510 /nfs/dbraw/zinc/88/05/10/931880510.db2.gz XTPWKJPGWHIARX-UHFFFAOYSA-N 2 1 292.379 1.862 20 10 CDCDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(O)c1O ZINC001204341451 939756549 /nfs/dbraw/zinc/75/65/49/939756549.db2.gz CQJGUTUNLZKNGY-UHFFFAOYSA-N 2 1 294.395 1.880 20 10 CDCDMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205068990 939819525 /nfs/dbraw/zinc/81/95/25/939819525.db2.gz RGCGHTBPAAWBES-YOEHRIQHSA-N 2 1 288.439 1.408 20 10 CDCDMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205068990 939819528 /nfs/dbraw/zinc/81/95/28/939819528.db2.gz RGCGHTBPAAWBES-YOEHRIQHSA-N 3 1 288.439 1.408 20 10 CDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205068990 939819533 /nfs/dbraw/zinc/81/95/33/939819533.db2.gz RGCGHTBPAAWBES-YOEHRIQHSA-N 3 1 288.439 1.408 20 10 CDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205068990 939819537 /nfs/dbraw/zinc/81/95/37/939819537.db2.gz RGCGHTBPAAWBES-YOEHRIQHSA-N 3 1 288.439 1.408 20 10 CDCDMP CN1CCOc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206175210 939990292 /nfs/dbraw/zinc/99/02/92/939990292.db2.gz SJMKLRXWCUKXKS-KBPBESRZSA-N 2 1 293.386 1.776 20 10 CDCDMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988919 944352430 /nfs/dbraw/zinc/35/24/30/944352430.db2.gz IUPBXRATRGZEJD-XHDPSFHLSA-N 2 1 262.353 1.632 20 10 CDCDMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988919 944352435 /nfs/dbraw/zinc/35/24/35/944352435.db2.gz IUPBXRATRGZEJD-XHDPSFHLSA-N 2 1 262.353 1.632 20 10 CDCDMP COc1cc(O)c(C[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC001236749587 944555604 /nfs/dbraw/zinc/55/56/04/944555604.db2.gz HOXRGMCUTHRMSH-UHFFFAOYSA-N 2 1 294.395 1.935 20 10 CDCDMP COc1cc(O)c(C[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC001236749587 944555611 /nfs/dbraw/zinc/55/56/11/944555611.db2.gz HOXRGMCUTHRMSH-UHFFFAOYSA-N 2 1 294.395 1.935 20 10 CDCDMP Oc1ccc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237403084 944755766 /nfs/dbraw/zinc/75/57/66/944755766.db2.gz JVFNOCHJKKIPGY-BXUZGUMPSA-N 2 1 262.353 1.672 20 10 CDCDMP Oc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237403084 944755770 /nfs/dbraw/zinc/75/57/70/944755770.db2.gz JVFNOCHJKKIPGY-BXUZGUMPSA-N 2 1 262.353 1.672 20 10 CDCDMP COc1cc(C[N@H+](C)CCC[NH+](C)C)c(O)c(OC)c1 ZINC001237675429 944919425 /nfs/dbraw/zinc/91/94/25/944919425.db2.gz XHMVJUPCZDIZHD-UHFFFAOYSA-N 2 1 282.384 1.793 20 10 CDCDMP COc1cc(C[N@@H+](C)CCC[NH+](C)C)c(O)c(OC)c1 ZINC001237675429 944919429 /nfs/dbraw/zinc/91/94/29/944919429.db2.gz XHMVJUPCZDIZHD-UHFFFAOYSA-N 2 1 282.384 1.793 20 10 CDCDMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC001261424576 946112638 /nfs/dbraw/zinc/11/26/38/946112638.db2.gz XYBLHXLNGXNJPO-MNOVXSKESA-N 2 1 280.368 1.827 20 10 CDCDMP C[N@H+]1CCC=C(c2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001241570672 946356281 /nfs/dbraw/zinc/35/62/81/946356281.db2.gz NPLRQCLWMSVTPA-UHFFFAOYSA-N 2 1 257.381 1.815 20 10 CDCDMP COC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331287519 956946583 /nfs/dbraw/zinc/94/65/83/956946583.db2.gz IZWKDHRFTIGXCH-ZDUSSCGKSA-N 2 1 295.402 1.702 20 10 CDCDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1OC ZINC001334964754 959495036 /nfs/dbraw/zinc/49/50/36/959495036.db2.gz JLXNYFYCPDJPKY-DGCLKSJQSA-N 2 1 294.395 1.982 20 10 CDCDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1OC ZINC001334964754 959495045 /nfs/dbraw/zinc/49/50/45/959495045.db2.gz JLXNYFYCPDJPKY-DGCLKSJQSA-N 2 1 294.395 1.982 20 10 CDCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)cc1O ZINC001578472037 1171928262 /nfs/dbraw/zinc/92/82/62/1171928262.db2.gz ZXNCHQYXKNFZAO-UHFFFAOYSA-N 2 1 283.803 1.383 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292887577 524744665 /nfs/dbraw/zinc/74/46/65/524744665.db2.gz YMYOZIKPTOKDQK-MRXNPFEDSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292887577 524744674 /nfs/dbraw/zinc/74/46/74/524744674.db2.gz YMYOZIKPTOKDQK-MRXNPFEDSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292887577 524744684 /nfs/dbraw/zinc/74/46/84/524744684.db2.gz YMYOZIKPTOKDQK-MRXNPFEDSA-N 2 1 276.380 1.928 20 10 CDCDMP C[NH2+]CCCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841041841 618677279 /nfs/dbraw/zinc/67/72/79/618677279.db2.gz JLZWQKMAOHLTEW-UHFFFAOYSA-N 2 1 276.428 1.138 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843059004 618692781 /nfs/dbraw/zinc/69/27/81/618692781.db2.gz BZOKWDWYVDYOCO-OBJOEFQTSA-N 2 1 276.380 1.960 20 10 CDCDMP Oc1cc2c(cc1C[N@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)OCO2 ZINC000904421366 626295666 /nfs/dbraw/zinc/29/56/66/626295666.db2.gz ZVCNQTMDDMMNNQ-CMPLNLGQSA-N 2 1 276.336 1.162 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000044527626 630548989 /nfs/dbraw/zinc/54/89/89/630548989.db2.gz YYNGQCWJSZVZKN-NSHDSACASA-N 2 1 250.342 1.572 20 10 CDCDMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000846860665 769762124 /nfs/dbraw/zinc/76/21/24/769762124.db2.gz LMNVHKKTKHGDBT-CZUORRHYSA-N 2 1 279.428 1.716 20 10 CDCDMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000846860665 769762150 /nfs/dbraw/zinc/76/21/50/769762150.db2.gz LMNVHKKTKHGDBT-CZUORRHYSA-N 2 1 279.428 1.716 20 10 CDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC000844220568 771337723 /nfs/dbraw/zinc/33/77/23/771337723.db2.gz IGGXXBDBWWUEQX-MRXNPFEDSA-N 2 1 289.423 1.565 20 10 CDCDMP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1F ZINC000817898807 771859784 /nfs/dbraw/zinc/85/97/84/771859784.db2.gz BGOIVNVAAANTTP-OLZOCXBDSA-N 2 1 251.349 1.861 20 10 CDCDMP C[C@H](CC[NH3+])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000841052988 772019920 /nfs/dbraw/zinc/01/99/20/772019920.db2.gz YIJVZWFDIIIWFG-CQSZACIVSA-N 2 1 276.428 1.265 20 10 CDCDMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841087647 772520750 /nfs/dbraw/zinc/52/07/50/772520750.db2.gz PFAAMOMMQTYWQF-ZDUSSCGKSA-N 2 1 266.341 1.584 20 10 CDCDMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817943231 773102059 /nfs/dbraw/zinc/10/20/59/773102059.db2.gz LODWRZNKLKOMBG-LLVKDONJSA-N 2 1 280.368 1.829 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)cc1O ZINC001206190218 912162875 /nfs/dbraw/zinc/16/28/75/912162875.db2.gz ZOGSEQTYJFFMMV-WDEREUQCSA-N 2 1 284.331 1.368 20 10 CDCDMP COc1cc(C[NH+]2CCC2)cc(C[NH+](C)C)c1O ZINC001139253559 936611964 /nfs/dbraw/zinc/61/19/64/936611964.db2.gz YCWTWFPMQCWYDN-UHFFFAOYSA-N 2 1 250.342 1.668 20 10 CDCDMP Cc1cc(F)cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205726517 924738208 /nfs/dbraw/zinc/73/82/08/924738208.db2.gz UBZCNUILHOHDMQ-OAHLLOKOSA-N 2 1 282.359 1.515 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCC[C@H]1C[NH3+] ZINC001205994723 927522766 /nfs/dbraw/zinc/52/27/66/927522766.db2.gz MCMXORCUMOSQHZ-YPMHNXCESA-N 2 1 264.369 1.905 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cc(O)c(O)cc1O)C2 ZINC001169097887 927698915 /nfs/dbraw/zinc/69/89/15/927698915.db2.gz DVYMLTLKXRMVMA-CLLJXQQHSA-N 2 1 292.379 1.561 20 10 CDCDMP CC[N@@H+](CCC[NH+](C)C)Cc1c(O)cc(O)cc1O ZINC001144516201 931881138 /nfs/dbraw/zinc/88/11/38/931881138.db2.gz SXBXIJUOUJTVHJ-UHFFFAOYSA-N 2 1 268.357 1.577 20 10 CDCDMP Cc1cccc(O)c1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205726163 939928071 /nfs/dbraw/zinc/92/80/71/939928071.db2.gz PKSKBGWSQGJABN-OAHLLOKOSA-N 2 1 264.369 1.376 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206197899 939996017 /nfs/dbraw/zinc/99/60/17/939996017.db2.gz KFJHVVSLZMQORV-ZIAGYGMSSA-N 2 1 282.359 1.970 20 10 CDCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206475343 940045448 /nfs/dbraw/zinc/04/54/48/940045448.db2.gz MXNRHZDPJAJVFT-GXFFZTMASA-N 2 1 270.760 1.105 20 10 CDCDMP Cc1cc(O)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206475343 940045452 /nfs/dbraw/zinc/04/54/52/940045452.db2.gz MXNRHZDPJAJVFT-GXFFZTMASA-N 2 1 270.760 1.105 20 10 CDCDMP Cc1cc(C)c(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c(O)c1 ZINC001231848851 943028385 /nfs/dbraw/zinc/02/83/85/943028385.db2.gz JWWOEVAGNXFYTO-UHFFFAOYSA-N 2 1 289.423 1.441 20 10 CDCDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487347 943596143 /nfs/dbraw/zinc/59/61/43/943596143.db2.gz ZSSIMMQQTMTSSX-BETUJISGSA-N 2 1 292.379 1.577 20 10 CDCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487347 943596148 /nfs/dbraw/zinc/59/61/48/943596148.db2.gz ZSSIMMQQTMTSSX-BETUJISGSA-N 2 1 292.379 1.577 20 10 CDCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487347 943596152 /nfs/dbraw/zinc/59/61/52/943596152.db2.gz ZSSIMMQQTMTSSX-BETUJISGSA-N 2 1 292.379 1.577 20 10 CDCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487347 943596155 /nfs/dbraw/zinc/59/61/55/943596155.db2.gz ZSSIMMQQTMTSSX-BETUJISGSA-N 2 1 292.379 1.577 20 10 CDCDMP Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234978654 943992173 /nfs/dbraw/zinc/99/21/73/943992173.db2.gz AZAUFPKNTZTVPO-AWEZNQCLSA-N 2 1 281.787 1.183 20 10 CDCDMP Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234978664 943992396 /nfs/dbraw/zinc/99/23/96/943992396.db2.gz AZAUFPKNTZTVPO-CQSZACIVSA-N 2 1 281.787 1.183 20 10 CDCDMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(O)c1 ZINC000388424845 944146914 /nfs/dbraw/zinc/14/69/14/944146914.db2.gz QCEHSMMKUSAGQX-GFCCVEGCSA-N 2 1 264.369 1.962 20 10 CDCDMP CCc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(O)c1 ZINC001236793533 944571958 /nfs/dbraw/zinc/57/19/58/944571958.db2.gz YFCNQCLPYVQCBD-UHFFFAOYSA-N 2 1 291.439 1.634 20 10 CDCDMP CCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000194536502 391361418 /nfs/dbraw/zinc/36/14/18/391361418.db2.gz KAWTYABFVLUAEE-OKILXGFUSA-N 2 1 276.380 1.784 20 10 CDCDMP CCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC000194536502 391361422 /nfs/dbraw/zinc/36/14/22/391361422.db2.gz KAWTYABFVLUAEE-OKILXGFUSA-N 2 1 276.380 1.784 20 10 CDCDMP CCOc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC000194536502 391361426 /nfs/dbraw/zinc/36/14/26/391361426.db2.gz KAWTYABFVLUAEE-OKILXGFUSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1O ZINC000037267143 173077744 /nfs/dbraw/zinc/07/77/44/173077744.db2.gz PAYGKCDBFMPCQH-UHFFFAOYSA-N 2 1 250.342 1.585 20 10 CDCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000762790200 576672730 /nfs/dbraw/zinc/67/27/30/576672730.db2.gz YJJWXLFGLTYPOQ-RHSMWYFYSA-N 2 1 291.439 1.860 20 10 CDCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762790200 576672732 /nfs/dbraw/zinc/67/27/32/576672732.db2.gz YJJWXLFGLTYPOQ-RHSMWYFYSA-N 2 1 291.439 1.860 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841100265 630581705 /nfs/dbraw/zinc/58/17/05/630581705.db2.gz AEBCGSXZAGFICV-NWDGAFQWSA-N 2 1 264.369 1.818 20 10 CDCDMP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857225997 773827454 /nfs/dbraw/zinc/82/74/54/773827454.db2.gz CLHVGJZAHOMTET-WFASDCNBSA-N 2 1 262.353 1.714 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857225997 773827455 /nfs/dbraw/zinc/82/74/55/773827455.db2.gz CLHVGJZAHOMTET-WFASDCNBSA-N 2 1 262.353 1.714 20 10 CDCDMP COc1c(O)c(C[NH+]2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843047003 773860813 /nfs/dbraw/zinc/86/08/13/773860813.db2.gz CSJVVHJZHKGNAJ-UHFFFAOYSA-N 2 1 295.339 1.480 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000843052041 774497171 /nfs/dbraw/zinc/49/71/71/774497171.db2.gz OYTSXZRJJGUCOF-RYUDHWBXSA-N 2 1 294.395 1.969 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000775368806 775629724 /nfs/dbraw/zinc/62/97/24/775629724.db2.gz GHTPJORSRMOWBH-STQMWFEESA-N 2 1 294.395 1.508 20 10 CDCDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765901 776102979 /nfs/dbraw/zinc/10/29/79/776102979.db2.gz RPKJHEGOPVDXJP-DGCLKSJQSA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765901 776102985 /nfs/dbraw/zinc/10/29/85/776102985.db2.gz RPKJHEGOPVDXJP-DGCLKSJQSA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765901 776102988 /nfs/dbraw/zinc/10/29/88/776102988.db2.gz RPKJHEGOPVDXJP-DGCLKSJQSA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765901 776102991 /nfs/dbraw/zinc/10/29/91/776102991.db2.gz RPKJHEGOPVDXJP-DGCLKSJQSA-N 2 1 292.379 1.893 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000216050002 777453170 /nfs/dbraw/zinc/45/31/70/777453170.db2.gz YPTGOKSRGHVFJK-GHMZBOCLSA-N 2 1 250.342 1.570 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000787307361 779320623 /nfs/dbraw/zinc/32/06/23/779320623.db2.gz VEHOZCZOBTXZQB-TXEJJXNPSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1cccc(O)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000787307361 779320630 /nfs/dbraw/zinc/32/06/30/779320630.db2.gz VEHOZCZOBTXZQB-TXEJJXNPSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1cccc(O)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000787307361 779320637 /nfs/dbraw/zinc/32/06/37/779320637.db2.gz VEHOZCZOBTXZQB-TXEJJXNPSA-N 2 1 262.353 1.394 20 10 CDCDMP COc1cccc(O)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000787307361 779320642 /nfs/dbraw/zinc/32/06/42/779320642.db2.gz VEHOZCZOBTXZQB-TXEJJXNPSA-N 2 1 262.353 1.394 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@H]1C[NH3+] ZINC001205639334 923877380 /nfs/dbraw/zinc/87/73/80/923877380.db2.gz ZAGLNXPHXMWMGD-PWSUYJOCSA-N 2 1 280.368 1.610 20 10 CDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001205946157 926562750 /nfs/dbraw/zinc/56/27/50/926562750.db2.gz JGKKCILHMLDFLZ-HZPDHXFCSA-N 2 1 275.396 1.181 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001205946157 926562756 /nfs/dbraw/zinc/56/27/56/926562756.db2.gz JGKKCILHMLDFLZ-HZPDHXFCSA-N 2 1 275.396 1.181 20 10 CDCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC001275267472 931718496 /nfs/dbraw/zinc/71/84/96/931718496.db2.gz PHISIMMAUHRDLI-IYBDPMFKSA-N 2 1 289.423 1.602 20 10 CDCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001275266971 931719108 /nfs/dbraw/zinc/71/91/08/931719108.db2.gz HLDRKRQCAQBRPG-HOTGVXAUSA-N 2 1 289.423 1.602 20 10 CDCDMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC001261424575 946112559 /nfs/dbraw/zinc/11/25/59/946112559.db2.gz XYBLHXLNGXNJPO-GHMZBOCLSA-N 2 1 280.368 1.827 20 10 CDCDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001254509267 947467935 /nfs/dbraw/zinc/46/79/35/947467935.db2.gz XSKHTXRINXGMRE-GFCCVEGCSA-N 2 1 250.342 1.672 20 10 CDCDMP C[NH2+][C@@H](C)CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001331419293 957039886 /nfs/dbraw/zinc/03/98/86/957039886.db2.gz PSPFIKVSVFHCTE-HNNXBMFYSA-N 2 1 290.455 1.526 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]C/C=C\CO)cc2F)CC1 ZINC001347357693 965486550 /nfs/dbraw/zinc/48/65/50/965486550.db2.gz SLCSHLHDMGBXSI-IHWYPQMZSA-N 2 1 293.386 1.216 20 10 CDCDMP C[NH2+]C1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001578607336 1171962108 /nfs/dbraw/zinc/96/21/08/1171962108.db2.gz YVBKOOLZNSJNLM-UHFFFAOYSA-N 2 1 264.369 1.893 20 10 CDCDMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2c1c(F)ccc2O ZINC000762787614 576672265 /nfs/dbraw/zinc/67/22/65/576672265.db2.gz MXKLMPVKGIOCSM-RSAASHCRSA-N 2 1 294.370 1.736 20 10 CDCDMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000762787614 576672269 /nfs/dbraw/zinc/67/22/69/576672269.db2.gz MXKLMPVKGIOCSM-RSAASHCRSA-N 2 1 294.370 1.736 20 10 CDCDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790185 576672640 /nfs/dbraw/zinc/67/26/40/576672640.db2.gz XZZJBQCTCSUADW-IRXDYDNUSA-N 2 1 291.439 1.860 20 10 CDCDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790185 576672643 /nfs/dbraw/zinc/67/26/43/576672643.db2.gz XZZJBQCTCSUADW-IRXDYDNUSA-N 2 1 291.439 1.860 20 10 CDCDMP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(O)c1OC ZINC000892251617 617579183 /nfs/dbraw/zinc/57/91/83/617579183.db2.gz JRIHNQTZZXFBEG-RYUDHWBXSA-N 2 1 278.352 1.061 20 10 CDCDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C[NH3+] ZINC000817864845 780802542 /nfs/dbraw/zinc/80/25/42/780802542.db2.gz DVDKCQBQSNGVOB-MDZLAQPJSA-N 2 1 292.379 1.926 20 10 CDCDMP COc1cccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1O ZINC000841087636 906927725 /nfs/dbraw/zinc/92/77/25/906927725.db2.gz OOKNIZCFLQPIDY-GFCCVEGCSA-N 2 1 252.358 1.864 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CN)c1O ZINC000070175480 917202292 /nfs/dbraw/zinc/20/22/92/917202292.db2.gz BILZQOTXMNOBLR-WCQYABFASA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139257312 936611767 /nfs/dbraw/zinc/61/17/67/936611767.db2.gz XOCCOPMDYGJSHM-LBPRGKRZSA-N 2 1 294.395 1.277 20 10 CDCDMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1C ZINC000841087243 936975423 /nfs/dbraw/zinc/97/54/23/936975423.db2.gz SCDZGERXHRBCBL-CQSZACIVSA-N 2 1 264.369 1.472 20 10 CDCDMP COc1c([O-])c(C[N@@H+](C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000843124411 937115096 /nfs/dbraw/zinc/11/50/96/937115096.db2.gz ALVDWRSVFZTDID-UHFFFAOYSA-N 2 1 281.312 1.231 20 10 CDCDMP COc1c(O)c(CN(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000843124411 937115098 /nfs/dbraw/zinc/11/50/98/937115098.db2.gz ALVDWRSVFZTDID-UHFFFAOYSA-N 2 1 281.312 1.231 20 10 CDCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001206639959 937276725 /nfs/dbraw/zinc/27/67/25/937276725.db2.gz HIBYTRKNMJUMJR-JTQLQIEISA-N 2 1 266.341 1.364 20 10 CDCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000817951214 930644424 /nfs/dbraw/zinc/64/44/24/930644424.db2.gz BRHAIEXKJJUAMF-QWRGUYRKSA-N 2 1 250.342 1.803 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000844900943 931722075 /nfs/dbraw/zinc/72/20/75/931722075.db2.gz BZMILEQOSXGQAD-LRDDRELGSA-N 2 1 276.380 1.962 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(O)cc1O ZINC001205639299 939911357 /nfs/dbraw/zinc/91/13/57/939911357.db2.gz YRNJXWIWUMGZKH-VXGBXAGGSA-N 2 1 294.395 1.913 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(O)c1 ZINC001232838918 943416265 /nfs/dbraw/zinc/41/62/65/943416265.db2.gz NYFSSKYXMGMFCT-HIFRSBDPSA-N 2 1 289.423 1.842 20 10 CDCDMP CN(C)c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(O)c1 ZINC001232838918 943416266 /nfs/dbraw/zinc/41/62/66/943416266.db2.gz NYFSSKYXMGMFCT-HIFRSBDPSA-N 2 1 289.423 1.842 20 10 CDCDMP CN(C)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC001232838918 943416267 /nfs/dbraw/zinc/41/62/67/943416267.db2.gz NYFSSKYXMGMFCT-HIFRSBDPSA-N 2 1 289.423 1.842 20 10 CDCDMP CC[NH+]1CC(Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234657863 943930295 /nfs/dbraw/zinc/93/02/95/943930295.db2.gz KHKOUOHRAIHUPN-UHFFFAOYSA-N 2 1 289.423 1.911 20 10 CDCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236067188 944400025 /nfs/dbraw/zinc/40/00/25/944400025.db2.gz NHKQSCZXMXXKEE-MRXNPFEDSA-N 3 1 288.439 1.138 20 10 CDCDMP C[NH2+]C[C@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236067188 944400028 /nfs/dbraw/zinc/40/00/28/944400028.db2.gz NHKQSCZXMXXKEE-MRXNPFEDSA-N 2 1 288.439 1.138 20 10 CDCDMP C[NH+]1CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001256195481 948228140 /nfs/dbraw/zinc/22/81/40/948228140.db2.gz YUSFFBREHKVMBI-UHFFFAOYSA-N 2 1 266.341 1.030 20 10 CDCDMP Oc1cc2c(cc1O)C[N@@H+](C1CC[NH2+]CC1)CCC2 ZINC001246875923 948497908 /nfs/dbraw/zinc/49/79/08/948497908.db2.gz JNSLPMCCOYJCCD-UHFFFAOYSA-N 2 1 262.353 1.598 20 10 CDCDMP Oc1cc2c(cc1O)C[N@H+](C1CC[NH2+]CC1)CCC2 ZINC001246875923 948497911 /nfs/dbraw/zinc/49/79/11/948497911.db2.gz JNSLPMCCOYJCCD-UHFFFAOYSA-N 2 1 262.353 1.598 20 10 CDCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)ccc1O ZINC000071148623 781976197 /nfs/dbraw/zinc/97/61/97/781976197.db2.gz GXMLPCVGPPOBTB-UHFFFAOYSA-N 2 1 283.803 1.383 20 10 CDCDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1O ZINC000183441855 391264428 /nfs/dbraw/zinc/26/44/28/391264428.db2.gz RZNRXFBVEDCCJT-CYBMUJFWSA-N 2 1 278.396 1.890 20 10 CDCDMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1O ZINC000252546040 334382448 /nfs/dbraw/zinc/38/24/48/334382448.db2.gz KBGZFIYNAOOLAH-IHRRRGAJSA-N 2 1 276.380 1.906 20 10 CDCDMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1O ZINC000252546040 334382450 /nfs/dbraw/zinc/38/24/50/334382450.db2.gz KBGZFIYNAOOLAH-IHRRRGAJSA-N 2 1 276.380 1.906 20 10 CDCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c1C ZINC000762784852 576671375 /nfs/dbraw/zinc/67/13/75/576671375.db2.gz ALRURKXCGZFVJB-CJNGLKHVSA-N 2 1 278.396 1.726 20 10 CDCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c1C ZINC000762784852 576671376 /nfs/dbraw/zinc/67/13/76/576671376.db2.gz ALRURKXCGZFVJB-CJNGLKHVSA-N 2 1 278.396 1.726 20 10 CDCDMP COc1c(O)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057112 618691262 /nfs/dbraw/zinc/69/12/62/618691262.db2.gz BEYFKKPAIHRKSQ-ZJUUUORDSA-N 2 1 295.339 1.478 20 10 CDCDMP COc1c(O)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057112 618691264 /nfs/dbraw/zinc/69/12/64/618691264.db2.gz BEYFKKPAIHRKSQ-ZJUUUORDSA-N 2 1 295.339 1.478 20 10 CDCDMP COc1c(O)c(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841036456 621184109 /nfs/dbraw/zinc/18/41/09/621184109.db2.gz ODTLZDMCYQSFHI-SNVBAGLBSA-N 2 1 295.339 1.398 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000044527625 630549204 /nfs/dbraw/zinc/54/92/04/630549204.db2.gz YYNGQCWJSZVZKN-LLVKDONJSA-N 2 1 250.342 1.572 20 10 CDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001205082513 913097956 /nfs/dbraw/zinc/09/79/56/913097956.db2.gz GEZOHBCRNIABPS-FZMZJTMJSA-N 2 1 263.385 1.770 20 10 CDCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001205082513 913097962 /nfs/dbraw/zinc/09/79/62/913097962.db2.gz GEZOHBCRNIABPS-FZMZJTMJSA-N 2 1 263.385 1.770 20 10 CDCDMP COc1cc(C[N@@H+]2CC[C@H](OC)C2)cc(C[NH+](C)C)c1O ZINC001139253987 936611759 /nfs/dbraw/zinc/61/17/59/936611759.db2.gz AHIVVPPUBGGVGB-AWEZNQCLSA-N 2 1 294.395 1.683 20 10 CDCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205570303 922718242 /nfs/dbraw/zinc/71/82/42/922718242.db2.gz IDFZNOODWIUCIS-CQSZACIVSA-N 2 1 284.331 1.456 20 10 CDCDMP CCC[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642455 924491586 /nfs/dbraw/zinc/49/15/86/924491586.db2.gz HWHZHJMDGBOHQI-UHFFFAOYSA-N 2 1 291.439 1.643 20 10 CDCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001169098643 927696147 /nfs/dbraw/zinc/69/61/47/927696147.db2.gz KHKOEORYRMUKFS-BTTYYORXSA-N 2 1 276.380 1.855 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000862443032 929416324 /nfs/dbraw/zinc/41/63/24/929416324.db2.gz KROQZTGOKZPWNU-IYBDPMFKSA-N 2 1 271.408 1.890 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000817969586 930652597 /nfs/dbraw/zinc/65/25/97/930652597.db2.gz XVNCDPZIMIPTTI-AAEUAGOBSA-N 2 1 292.379 1.972 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000817983134 930658852 /nfs/dbraw/zinc/65/88/52/930658852.db2.gz YSUYMGJJQROBHO-GVXVVHGQSA-N 2 1 292.379 1.957 20 10 CDCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001275418769 931783825 /nfs/dbraw/zinc/78/38/25/931783825.db2.gz JMGUSUITMYJZLG-YHWZYXNKSA-N 2 1 262.353 1.813 20 10 CDCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(O)cc3O)C[C@H]2CC1 ZINC001275949818 932162345 /nfs/dbraw/zinc/16/23/45/932162345.db2.gz LIUCAFCZQIQZIZ-BETUJISGSA-N 2 1 276.380 1.871 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@H]2CC1 ZINC001275949818 932162348 /nfs/dbraw/zinc/16/23/48/932162348.db2.gz LIUCAFCZQIQZIZ-BETUJISGSA-N 2 1 276.380 1.871 20 10 CDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]2CC1 ZINC001275949818 932162350 /nfs/dbraw/zinc/16/23/50/932162350.db2.gz LIUCAFCZQIQZIZ-BETUJISGSA-N 2 1 276.380 1.871 20 10 CDCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001205264305 939843373 /nfs/dbraw/zinc/84/33/73/939843373.db2.gz JPRWUTKQKXABNO-AWEZNQCLSA-N 2 1 250.342 1.801 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1C[NH3+] ZINC001205626325 939910113 /nfs/dbraw/zinc/91/01/13/939910113.db2.gz FTFORHVQNOWFPB-MNOVXSKESA-N 2 1 280.368 1.610 20 10 CDCDMP [NH3+]CC1(F)CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001222542275 941611158 /nfs/dbraw/zinc/61/11/58/941611158.db2.gz CRMFJTOBDLUYFO-UHFFFAOYSA-N 2 1 274.286 1.933 20 10 CDCDMP C[C@H]1C[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879492 948499059 /nfs/dbraw/zinc/49/90/59/948499059.db2.gz WDVWZXIZDXXJIT-FZMZJTMJSA-N 2 1 276.380 1.987 20 10 CDCDMP C[C@H]1C[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879492 948499065 /nfs/dbraw/zinc/49/90/65/948499065.db2.gz WDVWZXIZDXXJIT-FZMZJTMJSA-N 2 1 276.380 1.987 20 10 CDCDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000271859124 371081791 /nfs/dbraw/zinc/08/17/91/371081791.db2.gz INIZAIUZXHUHGR-UHFFFAOYSA-N 2 1 258.365 1.973 20 10 CDCDMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000292106763 377886002 /nfs/dbraw/zinc/88/60/02/377886002.db2.gz PUDAUNJILBYLRU-MRXNPFEDSA-N 2 1 290.363 1.649 20 10 CDCDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000292106763 377886011 /nfs/dbraw/zinc/88/60/11/377886011.db2.gz PUDAUNJILBYLRU-MRXNPFEDSA-N 2 1 290.363 1.649 20 10 CDCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000292106763 377886017 /nfs/dbraw/zinc/88/60/17/377886017.db2.gz PUDAUNJILBYLRU-MRXNPFEDSA-N 2 1 290.363 1.649 20 10 CDCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000292106763 377886022 /nfs/dbraw/zinc/88/60/22/377886022.db2.gz PUDAUNJILBYLRU-MRXNPFEDSA-N 2 1 290.363 1.649 20 10 CDCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000292106763 377886025 /nfs/dbraw/zinc/88/60/25/377886025.db2.gz PUDAUNJILBYLRU-MRXNPFEDSA-N 2 1 290.363 1.649 20 10 CDCDMP CN(C)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000770394985 575445364 /nfs/dbraw/zinc/44/53/64/575445364.db2.gz OHZASDKXAPXTDX-CHWSQXEVSA-N 2 1 263.360 1.543 20 10 CDCDMP COC[C@]1(C[NH2+]Cc2cc(C)ccc2O)CCC[NH2+]1 ZINC000841066999 618679975 /nfs/dbraw/zinc/67/99/75/618679975.db2.gz HXROJUMYONXHNJ-OAHLLOKOSA-N 2 1 264.369 1.559 20 10 CDCDMP CCOc1ccc(O)c(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)c1 ZINC000841067261 618680160 /nfs/dbraw/zinc/68/01/60/618680160.db2.gz MBOWNEPWQFMRQQ-MRXNPFEDSA-N 2 1 294.395 1.649 20 10 CDCDMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765893 1163086352 /nfs/dbraw/zinc/08/63/52/1163086352.db2.gz RPKJHEGOPVDXJP-AAEUAGOBSA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765893 1163086357 /nfs/dbraw/zinc/08/63/57/1163086357.db2.gz RPKJHEGOPVDXJP-AAEUAGOBSA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765893 1163086364 /nfs/dbraw/zinc/08/63/64/1163086364.db2.gz RPKJHEGOPVDXJP-AAEUAGOBSA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765893 1163086369 /nfs/dbraw/zinc/08/63/69/1163086369.db2.gz RPKJHEGOPVDXJP-AAEUAGOBSA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765893 1163086375 /nfs/dbraw/zinc/08/63/75/1163086375.db2.gz RPKJHEGOPVDXJP-AAEUAGOBSA-N 2 1 292.379 1.893 20 10 CDCDMP CCOc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1O ZINC000313356749 783941756 /nfs/dbraw/zinc/94/17/56/783941756.db2.gz PBRVSGHUDCCTOR-ZDUSSCGKSA-N 2 1 280.368 1.341 20 10 CDCDMP CCOc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1O ZINC000313356749 783941771 /nfs/dbraw/zinc/94/17/71/783941771.db2.gz PBRVSGHUDCCTOR-ZDUSSCGKSA-N 2 1 280.368 1.341 20 10 CDCDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843117383 783985574 /nfs/dbraw/zinc/98/55/74/783985574.db2.gz PCFPGQHWLZIZGX-CQSZACIVSA-N 2 1 264.325 1.292 20 10 CDCDMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccccc1O ZINC000879649122 786193283 /nfs/dbraw/zinc/19/32/83/786193283.db2.gz ISKDJPVHMMBDLT-VXGBXAGGSA-N 2 1 252.358 1.355 20 10 CDCDMP CN(C)c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1F ZINC000841027682 786769338 /nfs/dbraw/zinc/76/93/38/786769338.db2.gz FFYSJLCFDRLRFF-ZDUSSCGKSA-N 2 1 251.349 1.719 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000840938992 787898276 /nfs/dbraw/zinc/89/82/76/787898276.db2.gz IWQCNFKXBAXGQU-MRXNPFEDSA-N 2 1 277.412 1.217 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000840938992 787898277 /nfs/dbraw/zinc/89/82/77/787898277.db2.gz IWQCNFKXBAXGQU-MRXNPFEDSA-N 2 1 277.412 1.217 20 10 CDCDMP CCOc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205664531 924241364 /nfs/dbraw/zinc/24/13/64/924241364.db2.gz NVJVGWNHAQNHHR-INIZCTEOSA-N 2 1 294.395 1.467 20 10 CDCDMP C[C@@H]1C[N@@H+](Cc2cc(O)c(O)c(O)c2)CCC[C@@H]1C[NH3+] ZINC001206012219 928115027 /nfs/dbraw/zinc/11/50/27/928115027.db2.gz JDFOMIIOOWPSPC-ZYHUDNBSSA-N 2 1 280.368 1.610 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1O ZINC001205966916 939961838 /nfs/dbraw/zinc/96/18/38/939961838.db2.gz DRGXQULDKILORK-GDBMZVCRSA-N 2 1 272.348 1.439 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)cc1O ZINC001206190215 939994908 /nfs/dbraw/zinc/99/49/08/939994908.db2.gz ZOGSEQTYJFFMMV-GHMZBOCLSA-N 2 1 284.331 1.368 20 10 CDCDMP COc1cc(C)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235999379 944369077 /nfs/dbraw/zinc/36/90/77/944369077.db2.gz CLGMJJCJTJHRCD-HBBFGDNQSA-N 2 1 292.379 1.115 20 10 CDCDMP C[C@H]1C[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879494 948499078 /nfs/dbraw/zinc/49/90/78/948499078.db2.gz WDVWZXIZDXXJIT-SMDDNHRTSA-N 2 1 276.380 1.987 20 10 CDCDMP C[C@H]1C[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879494 948499080 /nfs/dbraw/zinc/49/90/80/948499080.db2.gz WDVWZXIZDXXJIT-SMDDNHRTSA-N 2 1 276.380 1.987 20 10 CDCDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246902770 948509907 /nfs/dbraw/zinc/50/99/07/948509907.db2.gz UOANQJSNKFXHRG-MRXNPFEDSA-N 2 1 288.439 1.278 20 10 CDCDMP COC[C@@]1(C[NH2+]Cc2cc(OC)ccc2O)CCC[NH2+]1 ZINC000841067084 618680061 /nfs/dbraw/zinc/68/00/61/618680061.db2.gz JRTGKJQOPLDUDJ-HNNXBMFYSA-N 2 1 280.368 1.259 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)c(O)c1 ZINC000843052535 790661452 /nfs/dbraw/zinc/66/14/52/790661452.db2.gz NCNMHGNNEZAAET-LBPRGKRZSA-N 2 1 264.369 1.832 20 10 CDCDMP COc1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000051889306 791205113 /nfs/dbraw/zinc/20/51/13/791205113.db2.gz GCXRXIRVLMQFKX-AWEZNQCLSA-N 2 1 275.396 1.427 20 10 CDCDMP COc1ccc(O)c([C@@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000851900170 791783322 /nfs/dbraw/zinc/78/33/22/791783322.db2.gz QLRWOVWOBIGQRP-OLZOCXBDSA-N 2 1 296.411 1.753 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000851900170 791783326 /nfs/dbraw/zinc/78/33/26/791783326.db2.gz QLRWOVWOBIGQRP-OLZOCXBDSA-N 2 1 296.411 1.753 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843052779 792460328 /nfs/dbraw/zinc/46/03/28/792460328.db2.gz WEAVCUZHBYPHHW-RYUDHWBXSA-N 2 1 264.369 1.960 20 10 CDCDMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c1 ZINC000877021592 793000780 /nfs/dbraw/zinc/00/07/80/793000780.db2.gz GRVQEPWCIOAOKF-HUUCEWRRSA-N 2 1 276.380 1.653 20 10 CDCDMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(O)c1 ZINC000877021592 793000795 /nfs/dbraw/zinc/00/07/95/793000795.db2.gz GRVQEPWCIOAOKF-HUUCEWRRSA-N 2 1 276.380 1.653 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2O)CC12CCOCC2 ZINC000843124891 793847586 /nfs/dbraw/zinc/84/75/86/793847586.db2.gz KJBBGJLNEWKGMJ-AWEZNQCLSA-N 2 1 276.380 1.580 20 10 CDCDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000841029660 794817791 /nfs/dbraw/zinc/81/77/91/794817791.db2.gz XYTFKQIIKCBVGK-MRXNPFEDSA-N 2 1 275.396 1.350 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000814178567 795106877 /nfs/dbraw/zinc/10/68/77/795106877.db2.gz VNWQETHKGGIYGD-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1cccc(O)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000814178567 795106897 /nfs/dbraw/zinc/10/68/97/795106897.db2.gz VNWQETHKGGIYGD-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1cccc(O)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000814178567 795106917 /nfs/dbraw/zinc/10/69/17/795106917.db2.gz VNWQETHKGGIYGD-INIZCTEOSA-N 2 1 276.380 1.928 20 10 CDCDMP COc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc(O)c1O ZINC001205095027 913391763 /nfs/dbraw/zinc/39/17/63/913391763.db2.gz SWOZUGUURNOYCY-NSHDSACASA-N 2 1 266.341 1.420 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(O)c1O ZINC001205095027 913391776 /nfs/dbraw/zinc/39/17/76/913391776.db2.gz SWOZUGUURNOYCY-NSHDSACASA-N 2 1 266.341 1.420 20 10 CDCDMP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc(O)c1O ZINC001205263821 918431870 /nfs/dbraw/zinc/43/18/70/918431870.db2.gz CNLIQVOZYVEKAL-OAHLLOKOSA-N 2 1 280.368 1.810 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc(O)c1O ZINC001205263821 918431876 /nfs/dbraw/zinc/43/18/76/918431876.db2.gz CNLIQVOZYVEKAL-OAHLLOKOSA-N 2 1 280.368 1.810 20 10 CDCDMP COc1cccc(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1O ZINC001203599178 939695595 /nfs/dbraw/zinc/69/55/95/939695595.db2.gz BPGZBVJTSVMCSF-JSGCOSHPSA-N 2 1 276.380 1.927 20 10 CDCDMP [NH3+]CC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205047548 939818107 /nfs/dbraw/zinc/81/81/07/939818107.db2.gz YYQHKNTWSBZWIM-UHFFFAOYSA-N 2 1 256.296 1.841 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)cc1O ZINC001205110523 939823734 /nfs/dbraw/zinc/82/37/34/939823734.db2.gz VDSHKYNDJMNUOY-NSHDSACASA-N 2 1 266.341 1.420 20 10 CDCDMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001205150721 939829161 /nfs/dbraw/zinc/82/91/61/939829161.db2.gz IQLIZSDGTSJEAN-CMPLNLGQSA-N 2 1 280.368 1.436 20 10 CDCDMP Oc1cccc(Cl)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234986623 943996640 /nfs/dbraw/zinc/99/66/40/943996640.db2.gz KTSKHZSEZKDHDQ-AWEZNQCLSA-N 2 1 281.787 1.183 20 10 CDCDMP COCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933690 944617840 /nfs/dbraw/zinc/61/78/40/944617840.db2.gz ZMFMWRCAQQOCSM-UHFFFAOYSA-N 2 1 295.402 1.656 20 10 CDCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001320217324 959013579 /nfs/dbraw/zinc/01/35/79/959013579.db2.gz DMBRVZXUWARSMB-QGZVFWFLSA-N 2 1 289.423 1.443 20 10 CDCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001320217324 959013601 /nfs/dbraw/zinc/01/36/01/959013601.db2.gz DMBRVZXUWARSMB-QGZVFWFLSA-N 2 1 289.423 1.443 20 10 CDCDMP Nc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC001356083491 969328566 /nfs/dbraw/zinc/32/85/66/969328566.db2.gz PQNNCRMOWUMCDL-BHYGNILZSA-N 2 1 289.423 1.987 20 10 CDCDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000892613651 617536273 /nfs/dbraw/zinc/53/62/73/617536273.db2.gz NSTVALLAVNZTAH-GFCCVEGCSA-N 2 1 294.395 1.841 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1O ZINC000723699526 796474475 /nfs/dbraw/zinc/47/44/75/796474475.db2.gz TVXRGCITIQVJIB-LBPRGKRZSA-N 2 1 264.369 1.962 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000251614369 796643189 /nfs/dbraw/zinc/64/31/89/796643189.db2.gz DPCZEUXCZUOMLI-ZWNOBZJWSA-N 2 1 250.342 1.570 20 10 CDCDMP O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C[NH+]1CCCC1 ZINC000921586069 796781502 /nfs/dbraw/zinc/78/15/02/796781502.db2.gz IFHXGMKPLDJPPJ-INIZCTEOSA-N 2 1 290.407 1.558 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000817977379 796786125 /nfs/dbraw/zinc/78/61/25/796786125.db2.gz JBNBVKFWWOPKQQ-QWRGUYRKSA-N 2 1 280.368 1.957 20 10 CDCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)CC[C@H]1F ZINC001206152805 911054858 /nfs/dbraw/zinc/05/48/58/911054858.db2.gz AZPJQEICVYISHW-GHMZBOCLSA-N 2 1 254.305 1.359 20 10 CDCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)CC[C@H]1F ZINC001206152805 911054879 /nfs/dbraw/zinc/05/48/79/911054879.db2.gz AZPJQEICVYISHW-GHMZBOCLSA-N 2 1 254.305 1.359 20 10 CDCDMP [NH3+][C@H]1CC[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1F ZINC001206173661 911843028 /nfs/dbraw/zinc/84/30/28/911843028.db2.gz JIRIGVLTIJVOFQ-NEPJUHHUSA-N 2 1 256.296 1.793 20 10 CDCDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140056022 936674571 /nfs/dbraw/zinc/67/45/71/936674571.db2.gz DXAQACOLOOCRCK-BETUJISGSA-N 2 1 264.344 1.915 20 10 CDCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140056022 936674573 /nfs/dbraw/zinc/67/45/73/936674573.db2.gz DXAQACOLOOCRCK-BETUJISGSA-N 2 1 264.344 1.915 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140056022 936674574 /nfs/dbraw/zinc/67/45/74/936674574.db2.gz DXAQACOLOOCRCK-BETUJISGSA-N 2 1 264.344 1.915 20 10 CDCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140056022 936674575 /nfs/dbraw/zinc/67/45/75/936674575.db2.gz DXAQACOLOOCRCK-BETUJISGSA-N 2 1 264.344 1.915 20 10 CDCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCOC)cc2)CC1 ZINC001140300762 936699161 /nfs/dbraw/zinc/69/91/61/936699161.db2.gz RSYSPLCBRKTKIM-UHFFFAOYSA-N 2 1 291.439 1.907 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1O ZINC001140742723 936748563 /nfs/dbraw/zinc/74/85/63/936748563.db2.gz WPAGMWPYOJEYQO-UHFFFAOYSA-N 2 1 264.369 1.932 20 10 CDCDMP Cc1c(O)ccc(C[N@H+](C)C2CC[NH+](C)CC2)c1O ZINC001140742723 936748564 /nfs/dbraw/zinc/74/85/64/936748564.db2.gz WPAGMWPYOJEYQO-UHFFFAOYSA-N 2 1 264.369 1.932 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000708834490 923195031 /nfs/dbraw/zinc/19/50/31/923195031.db2.gz DPGTZBUGPWZZBP-CMPLNLGQSA-N 2 1 250.342 1.427 20 10 CDCDMP C[NH2+]CC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843049620 937106843 /nfs/dbraw/zinc/10/68/43/937106843.db2.gz OYDAGXREIYHOAS-UHFFFAOYSA-N 2 1 252.333 1.963 20 10 CDCDMP [NH3+]CCOCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843356081 937141260 /nfs/dbraw/zinc/14/12/60/937141260.db2.gz DOUAJLMJAVJCKT-OAHLLOKOSA-N 2 1 294.395 1.349 20 10 CDCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1c(O)cc(O)cc1O ZINC001144515840 931880456 /nfs/dbraw/zinc/88/04/56/931880456.db2.gz GQKORHPNIPXDJI-UHFFFAOYSA-N 2 1 282.384 1.967 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205209482 939835561 /nfs/dbraw/zinc/83/55/61/939835561.db2.gz JUKFEGQWHMYZTO-OAHLLOKOSA-N 2 1 280.368 1.077 20 10 CDCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC001206474441 940045716 /nfs/dbraw/zinc/04/57/16/940045716.db2.gz BLIPBDVUZOFBRV-DZGCQCFKSA-N 2 1 272.348 1.297 20 10 CDCDMP Oc1ccc(F)cc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502056 941604508 /nfs/dbraw/zinc/60/45/08/941604508.db2.gz DYKPHFHLRQFIIX-KBPBESRZSA-N 2 1 279.359 1.057 20 10 CDCDMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC001326473279 954399642 /nfs/dbraw/zinc/39/96/42/954399642.db2.gz IIUIGSHALRADPL-WDEREUQCSA-N 2 1 280.368 1.685 20 10 CDCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(N)cc1 ZINC001345159336 964610962 /nfs/dbraw/zinc/61/09/62/964610962.db2.gz GLVHDQFPPRSGFF-BRWVUGGUSA-N 2 1 289.423 1.952 20 10 CDCDMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(O)c1 ZINC001579144434 1172105596 /nfs/dbraw/zinc/10/55/96/1172105596.db2.gz GJYOMLCPBNDRRQ-DOMZBBRYSA-N 2 1 276.380 1.893 20 10 CDCDMP Cc1ccc(O)c(C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000071409548 1161292013 /nfs/dbraw/zinc/29/20/13/1161292013.db2.gz OPRLDXFBTYHMTN-UHFFFAOYSA-N 2 1 263.385 1.038 20 10 CDCDMP COC[C@]1(C[NH2+]Cc2cc(C)c(C)cc2O)CCC[NH2+]1 ZINC000841068141 618680528 /nfs/dbraw/zinc/68/05/28/618680528.db2.gz WGFBZERNXXLPRX-MRXNPFEDSA-N 2 1 278.396 1.867 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406379 626283090 /nfs/dbraw/zinc/28/30/90/626283090.db2.gz RNGNGRYNPZCZOY-LLVKDONJSA-N 2 1 250.342 1.572 20 10 CDCDMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765902 1163085684 /nfs/dbraw/zinc/08/56/84/1163085684.db2.gz RPKJHEGOPVDXJP-WCQYABFASA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765902 1163085688 /nfs/dbraw/zinc/08/56/88/1163085688.db2.gz RPKJHEGOPVDXJP-WCQYABFASA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765902 1163085694 /nfs/dbraw/zinc/08/56/94/1163085694.db2.gz RPKJHEGOPVDXJP-WCQYABFASA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765902 1163085700 /nfs/dbraw/zinc/08/57/00/1163085700.db2.gz RPKJHEGOPVDXJP-WCQYABFASA-N 2 1 292.379 1.893 20 10 CDCDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765902 1163085704 /nfs/dbraw/zinc/08/57/04/1163085704.db2.gz RPKJHEGOPVDXJP-WCQYABFASA-N 2 1 292.379 1.893 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1O ZINC000311889799 805075759 /nfs/dbraw/zinc/07/57/59/805075759.db2.gz DBAWCXHRWYJRSN-OAHLLOKOSA-N 2 1 264.369 1.962 20 10 CDCDMP C[NH2+]CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843356448 812080214 /nfs/dbraw/zinc/08/02/14/812080214.db2.gz PYAUOFIPXIIREW-OAHLLOKOSA-N 2 1 278.396 1.983 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000070171773 812451382 /nfs/dbraw/zinc/45/13/82/812451382.db2.gz VMFKQIMCTABALT-RYUDHWBXSA-N 2 1 264.369 1.960 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000817940808 813619551 /nfs/dbraw/zinc/61/95/51/813619551.db2.gz KWOZKUNORLGQMU-NSHDSACASA-N 2 1 292.379 1.829 20 10 CDCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(O)c1 ZINC000815616388 814577806 /nfs/dbraw/zinc/57/78/06/814577806.db2.gz NKRUKDFDMAXOQX-BBRMVZONSA-N 2 1 278.396 1.726 20 10 CDCDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(O)c1 ZINC000815616388 814577811 /nfs/dbraw/zinc/57/78/11/814577811.db2.gz NKRUKDFDMAXOQX-BBRMVZONSA-N 2 1 278.396 1.726 20 10 CDCDMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000070171774 817082291 /nfs/dbraw/zinc/08/22/91/817082291.db2.gz VMFKQIMCTABALT-NEPJUHHUSA-N 2 1 264.369 1.960 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000227056311 817167773 /nfs/dbraw/zinc/16/77/73/817167773.db2.gz JIUNNCYRRLJJGT-AAEUAGOBSA-N 2 1 264.369 1.960 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(O)c1 ZINC000843048715 817892378 /nfs/dbraw/zinc/89/23/78/817892378.db2.gz SUOMNICWFMZHJU-LLVKDONJSA-N 2 1 250.342 1.572 20 10 CDCDMP Cc1ccc(O)c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313354583 900380947 /nfs/dbraw/zinc/38/09/47/900380947.db2.gz OOESCIJVSANAJZ-ZDUSSCGKSA-N 2 1 250.342 1.250 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)cc2)CC1 ZINC001139413549 936618286 /nfs/dbraw/zinc/61/82/86/936618286.db2.gz WEKLMERSKMHSBH-CALCHBBNSA-N 2 1 287.407 1.412 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)cc2)CC1 ZINC001139413549 936618287 /nfs/dbraw/zinc/61/82/87/936618287.db2.gz WEKLMERSKMHSBH-CALCHBBNSA-N 2 1 287.407 1.412 20 10 CDCDMP CCC[N@@H+](Cc1ccccc1O)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923310056 923736335 /nfs/dbraw/zinc/73/63/35/923736335.db2.gz CIOYOESQNUDLFB-YDHLFZDLSA-N 2 1 264.369 1.455 20 10 CDCDMP Cn1ccc2c1cc[nH+]c2-c1cnn(CC[NH+](C)C)c1 ZINC001206310496 940015486 /nfs/dbraw/zinc/01/54/86/940015486.db2.gz QDQPIUKJIGPKIB-UHFFFAOYSA-N 2 1 269.352 1.998 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC000380794444 943878522 /nfs/dbraw/zinc/87/85/22/943878522.db2.gz XFOWSCGHIDCKHA-OCCSQVGLSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1ccc(O)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC000380794444 943878524 /nfs/dbraw/zinc/87/85/24/943878524.db2.gz XFOWSCGHIDCKHA-OCCSQVGLSA-N 2 1 276.380 1.784 20 10 CDCDMP COc1ccc(O)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC000380794444 943878534 /nfs/dbraw/zinc/87/85/34/943878534.db2.gz XFOWSCGHIDCKHA-OCCSQVGLSA-N 2 1 276.380 1.784 20 10 CDCDMP C[N@@H+](CCCC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC001235691376 944249173 /nfs/dbraw/zinc/24/91/73/944249173.db2.gz JXAAJJKOKRVRKE-UHFFFAOYSA-N 2 1 277.412 1.694 20 10 CDCDMP Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235996177 944363887 /nfs/dbraw/zinc/36/38/87/944363887.db2.gz XMFXPKIKQNXQIN-NNQSOWQGSA-N 2 1 262.353 1.106 20 10 CDCDMP Cc1cc(O)c(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1Cl ZINC001236082503 944401180 /nfs/dbraw/zinc/40/11/80/944401180.db2.gz GXEUHHBQJMCHQD-UHFFFAOYSA-N 2 1 297.830 1.691 20 10 CDCDMP C[C@H](CO)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347223293 965428008 /nfs/dbraw/zinc/42/80/08/965428008.db2.gz XVINBZPYBGPAGN-CYBMUJFWSA-N 2 1 295.402 1.390 20 10 CDCDMP C[C@H](CO)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347223293 965428013 /nfs/dbraw/zinc/42/80/13/965428013.db2.gz XVINBZPYBGPAGN-CYBMUJFWSA-N 2 1 295.402 1.390 20 10 CDCDMP C[NH+]1CCC(CCO)([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000771180307 575554999 /nfs/dbraw/zinc/55/49/99/575554999.db2.gz WFICVKUYQYSPSD-UHFFFAOYSA-N 2 1 282.359 1.468 20 10 CDCDMP Cc1cc(O)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000762570249 576655118 /nfs/dbraw/zinc/65/51/18/576655118.db2.gz ZPGFBVYLVCVVNY-OAHLLOKOSA-N 2 1 264.369 1.165 20 10 CDCDMP Cc1cc(O)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000762570249 576655120 /nfs/dbraw/zinc/65/51/20/576655120.db2.gz ZPGFBVYLVCVVNY-OAHLLOKOSA-N 2 1 264.369 1.165 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1F ZINC000762569260 576655347 /nfs/dbraw/zinc/65/53/47/576655347.db2.gz RKDXKVFAEUJXPM-HNNXBMFYSA-N 2 1 281.375 1.048 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1F ZINC000762569260 576655348 /nfs/dbraw/zinc/65/53/48/576655348.db2.gz RKDXKVFAEUJXPM-HNNXBMFYSA-N 2 1 281.375 1.048 20 10 CDCDMP CCOc1ccc(O)c(C[NH2+]C[C@]2(COC)CCC[NH2+]2)c1 ZINC000841067260 618679888 /nfs/dbraw/zinc/67/98/88/618679888.db2.gz MBOWNEPWQFMRQQ-INIZCTEOSA-N 2 1 294.395 1.649 20 10 CDCDMP C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000788271164 818870135 /nfs/dbraw/zinc/87/01/35/818870135.db2.gz ZRXYGLVTBLFNBD-WMLDXEAASA-N 2 1 289.423 1.394 20 10 CDCDMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C)cc1O ZINC000794811684 819259964 /nfs/dbraw/zinc/25/99/64/819259964.db2.gz XWCBFVLPBUYHAS-TZMCWYRMSA-N 2 1 266.385 1.664 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000702575089 820384514 /nfs/dbraw/zinc/38/45/14/820384514.db2.gz VWCYAEMCJLBLRY-IAQYHMDHSA-N 2 1 280.368 1.118 20 10 CDCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000702575089 820384519 /nfs/dbraw/zinc/38/45/19/820384519.db2.gz VWCYAEMCJLBLRY-IAQYHMDHSA-N 2 1 280.368 1.118 20 10 CDCDMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000216059100 820825902 /nfs/dbraw/zinc/82/59/02/820825902.db2.gz CCNKSURQSBEUHJ-NWDGAFQWSA-N 2 1 264.369 1.960 20 10 CDCDMP [NH3+]CCOCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843356080 822498785 /nfs/dbraw/zinc/49/87/85/822498785.db2.gz DOUAJLMJAVJCKT-HNNXBMFYSA-N 2 1 294.395 1.349 20 10 CDCDMP CCC[N@@H+](Cc1ccccc1O)C[C@](C)(O)C[NH2+]C ZINC000846218396 822536309 /nfs/dbraw/zinc/53/63/09/822536309.db2.gz MZRPAQFKWMSSTM-OAHLLOKOSA-N 2 1 266.385 1.575 20 10 CDCDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205102920 913563282 /nfs/dbraw/zinc/56/32/82/913563282.db2.gz WJMYZKPRERZITM-INIZCTEOSA-N 2 1 289.423 1.836 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2C[C@@H](C)CC[C@@H]2CN)c1 ZINC001205806931 925169323 /nfs/dbraw/zinc/16/93/23/925169323.db2.gz WPFBDICLZQNVPQ-WCQYABFASA-N 2 1 264.369 1.960 20 10 CDCDMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c2ccccc2n1C ZINC001205952784 928679772 /nfs/dbraw/zinc/67/97/72/928679772.db2.gz AHRZGNSHGORHJK-GDBMZVCRSA-N 2 1 273.380 1.381 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)O)cc2F)CC1 ZINC001116033886 937428332 /nfs/dbraw/zinc/42/83/32/937428332.db2.gz YWXQONJRRLTQHF-UHFFFAOYSA-N 2 1 295.402 1.438 20 10 CDCDMP Cc1cc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1Cl ZINC001234986386 943995538 /nfs/dbraw/zinc/99/55/38/943995538.db2.gz CREBZFFPMJRFFS-HNNXBMFYSA-N 2 1 295.814 1.491 20 10 CDCDMP CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1 ZINC001236793545 944570302 /nfs/dbraw/zinc/57/03/02/944570302.db2.gz YLFSMCMWQVKZAA-GASCZTMLSA-N 2 1 260.381 1.948 20 10 CDCDMP CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC001236793545 944570311 /nfs/dbraw/zinc/57/03/11/944570311.db2.gz YLFSMCMWQVKZAA-GASCZTMLSA-N 2 1 260.381 1.948 20 10 CDCDMP CCc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c1 ZINC001236793545 944570323 /nfs/dbraw/zinc/57/03/23/944570323.db2.gz YLFSMCMWQVKZAA-GASCZTMLSA-N 2 1 260.381 1.948 20 10 CDCDMP Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237383887 944740404 /nfs/dbraw/zinc/74/04/04/944740404.db2.gz SDQROWGRQZGRNL-BXUZGUMPSA-N 2 1 262.353 1.672 20 10 CDCDMP Cc1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1O ZINC000894377588 618834751 /nfs/dbraw/zinc/83/47/51/618834751.db2.gz BTSWGFGLWASZNM-UHFFFAOYSA-N 2 1 291.439 1.818 20 10 CDCDMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000841035121 822718369 /nfs/dbraw/zinc/71/83/69/822718369.db2.gz HOYAIKMOVANRSA-LBPRGKRZSA-N 2 1 250.342 1.633 20 10 CDCDMP COc1ccc(O)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000841086993 826761396 /nfs/dbraw/zinc/76/13/96/826761396.db2.gz HMVNFKNFSATLAT-CYBMUJFWSA-N 2 1 252.358 1.864 20 10 CDCDMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817970028 827527550 /nfs/dbraw/zinc/52/75/50/827527550.db2.gz JOQBGXUHCWVDMT-RYUDHWBXSA-N 2 1 281.375 1.660 20 10 CDCDMP Oc1cccc(Cl)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000128344153 929654211 /nfs/dbraw/zinc/65/42/11/929654211.db2.gz OQTFDKYTENSPBV-UWVGGRQHSA-N 2 1 252.745 1.697 20 10 CDCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204280008 939752660 /nfs/dbraw/zinc/75/26/60/939752660.db2.gz IKQLBHBMJCDPJE-OAHLLOKOSA-N 2 1 262.353 1.625 20 10 CDCDMP C[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1C[NH3+] ZINC001205626327 939909917 /nfs/dbraw/zinc/90/99/17/939909917.db2.gz FTFORHVQNOWFPB-WDEREUQCSA-N 2 1 280.368 1.610 20 10 CDCDMP Cc1c(O)ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205768913 939933975 /nfs/dbraw/zinc/93/39/75/939933975.db2.gz HFYVTBMJXZGYBD-LLVKDONJSA-N 2 1 286.322 1.822 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205768913 939933979 /nfs/dbraw/zinc/93/39/79/939933979.db2.gz HFYVTBMJXZGYBD-LLVKDONJSA-N 2 1 286.322 1.822 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205789423 939937409 /nfs/dbraw/zinc/93/74/09/939937409.db2.gz ZIVBLNZMTSNSTB-GFCCVEGCSA-N 2 1 299.365 1.874 20 10 CDCDMP COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988914 944351973 /nfs/dbraw/zinc/35/19/73/944351973.db2.gz IUPBXRATRGZEJD-IAQYHMDHSA-N 2 1 262.353 1.632 20 10 CDCDMP COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988914 944351982 /nfs/dbraw/zinc/35/19/82/944351982.db2.gz IUPBXRATRGZEJD-IAQYHMDHSA-N 2 1 262.353 1.632 20 10 CDCDMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235993416 944359007 /nfs/dbraw/zinc/35/90/07/944359007.db2.gz HRGVFRGGBILJPL-NNQSOWQGSA-N 2 1 276.380 1.415 20 10 CDCDMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237379309 944738670 /nfs/dbraw/zinc/73/86/70/944738670.db2.gz ATTXYVZFNJJLSY-DOMZBBRYSA-N 2 1 276.380 1.975 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237403254 944756350 /nfs/dbraw/zinc/75/63/50/944756350.db2.gz KGVGEZNEXFBATR-TZMCWYRMSA-N 2 1 276.380 1.980 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1O ZINC000094338957 829012680 /nfs/dbraw/zinc/01/26/80/829012680.db2.gz JIUNNCYRRLJJGT-YPMHNXCESA-N 2 1 264.369 1.960 20 10 CDCDMP CCOc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1O ZINC000841028079 829809966 /nfs/dbraw/zinc/80/99/66/829809966.db2.gz LEQLYLLCJKERJT-LBPRGKRZSA-N 2 1 250.342 1.618 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000848896118 829922926 /nfs/dbraw/zinc/92/29/26/829922926.db2.gz SIQGEWAQJVAMSK-HOTGVXAUSA-N 2 1 290.407 1.907 20 10 CDCDMP CCc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000848896118 829922942 /nfs/dbraw/zinc/92/29/42/829922942.db2.gz SIQGEWAQJVAMSK-HOTGVXAUSA-N 2 1 290.407 1.907 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(O)c1 ZINC000843051098 830032209 /nfs/dbraw/zinc/03/22/09/830032209.db2.gz DZPPKIPGOVQIJL-SMDDNHRTSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139256178 936611960 /nfs/dbraw/zinc/61/19/60/936611960.db2.gz VXAPDVRBSRUCQO-SMDDNHRTSA-N 2 1 294.395 1.275 20 10 CDCDMP COc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205764526 924852149 /nfs/dbraw/zinc/85/21/49/924852149.db2.gz WOJDBYAKCXCSIK-NSHDSACASA-N 2 1 286.322 1.817 20 10 CDCDMP COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205764526 924852152 /nfs/dbraw/zinc/85/21/52/924852152.db2.gz WOJDBYAKCXCSIK-NSHDSACASA-N 2 1 286.322 1.817 20 10 CDCDMP Cc1ccc(C)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205682009 939917980 /nfs/dbraw/zinc/91/79/80/939917980.db2.gz QCJBQGONLCVHJR-INIZCTEOSA-N 2 1 278.396 1.685 20 10 CDCDMP Cc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)ccc1N(C)C ZINC001234985379 943994733 /nfs/dbraw/zinc/99/47/33/943994733.db2.gz ARRWDDZHGJKWNY-QGZVFWFLSA-N 2 1 288.439 1.198 20 10 CDCDMP Cc1cc(C)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235060710 944034401 /nfs/dbraw/zinc/03/44/01/944034401.db2.gz IPPJDEKWWFVMSF-INIZCTEOSA-N 2 1 275.396 1.146 20 10 CDCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC001320514178 959215436 /nfs/dbraw/zinc/21/54/36/959215436.db2.gz OSSWJTQQXMPPEV-XNJGSVPQSA-N 2 1 290.407 1.905 20 10 CDCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC001320514178 959215445 /nfs/dbraw/zinc/21/54/45/959215445.db2.gz OSSWJTQQXMPPEV-XNJGSVPQSA-N 2 1 290.407 1.905 20 10 CDCDMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(N)cc3)CC2)C1 ZINC001345160078 964610032 /nfs/dbraw/zinc/61/00/32/964610032.db2.gz QSJVWVMOICYDAD-KRWDZBQOSA-N 2 1 288.439 1.481 20 10 CDCDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(N)cc3)CC2)C1 ZINC001345160078 964610038 /nfs/dbraw/zinc/61/00/38/964610038.db2.gz QSJVWVMOICYDAD-KRWDZBQOSA-N 2 1 288.439 1.481 20 10 CDCDMP COc1cccc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000272539150 263006135 /nfs/dbraw/zinc/00/61/35/263006135.db2.gz BWNPYRFSHRAYFB-GXTWGEPZSA-N 2 1 276.380 1.927 20 10 CDCDMP COc1cccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000272539150 263006136 /nfs/dbraw/zinc/00/61/36/263006136.db2.gz BWNPYRFSHRAYFB-GXTWGEPZSA-N 2 1 276.380 1.927 20 10 CDCDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(O)c1O ZINC001205994058 1161989387 /nfs/dbraw/zinc/98/93/87/1161989387.db2.gz IVUBJFLSMSDZFV-WCQYABFASA-N 2 1 294.395 1.913 20 10 CDCDMP CN(CC[N@@H+](C)Cc1ccccc1O)C1CC[NH+](C)CC1 ZINC000289808541 522813760 /nfs/dbraw/zinc/81/37/60/522813760.db2.gz NJCRAAREENPQBI-UHFFFAOYSA-N 2 1 291.439 1.850 20 10 CDCDMP CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)c(O)c1 ZINC000841029203 621020142 /nfs/dbraw/zinc/02/01/42/621020142.db2.gz VWCPQUXPTRDPDP-ZDUSSCGKSA-N 2 1 250.342 1.618 20 10 CDCDMP CCc1cccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c1O ZINC000848894194 836057609 /nfs/dbraw/zinc/05/76/09/836057609.db2.gz KOAZXMHTDAFWCI-UHFFFAOYSA-N 2 1 292.423 1.891 20 10 CDCDMP C[N@@H+](Cc1cn[nH]c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775699913 837345697 /nfs/dbraw/zinc/34/56/97/837345697.db2.gz JQAQXYKGQXQKOD-UHFFFAOYSA-N 2 1 299.422 1.794 20 10 CDCDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817979638 838088868 /nfs/dbraw/zinc/08/88/68/838088868.db2.gz CINCVFCBHITNRV-BBRMVZONSA-N 2 1 277.412 1.782 20 10 CDCDMP COc1cc(O)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OC ZINC000841086979 839892976 /nfs/dbraw/zinc/89/29/76/839892976.db2.gz GSXLRKITYPFUEU-CQSZACIVSA-N 2 1 282.384 1.872 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000819076734 841384333 /nfs/dbraw/zinc/38/43/33/841384333.db2.gz FDGALILYEQVLFH-KRWDZBQOSA-N 2 1 291.439 1.606 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000819076734 841384345 /nfs/dbraw/zinc/38/43/45/841384345.db2.gz FDGALILYEQVLFH-KRWDZBQOSA-N 2 1 291.439 1.606 20 10 CDCDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000401765654 940879331 /nfs/dbraw/zinc/87/93/31/940879331.db2.gz LKBZMIIXNXXLOC-ZDUSSCGKSA-N 2 1 257.337 1.945 20 10 CDCDMP Cc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222502944 941604056 /nfs/dbraw/zinc/60/40/56/941604056.db2.gz XPVOQILKFKLQAJ-GJZGRUSLSA-N 2 1 275.396 1.226 20 10 CDCDMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246248858 948055375 /nfs/dbraw/zinc/05/53/75/948055375.db2.gz WCLUWSWQQDKAKE-JQWIXIFHSA-N 2 1 250.342 1.370 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](O)C3)cc2F)CC1 ZINC001326453533 954391435 /nfs/dbraw/zinc/39/14/35/954391435.db2.gz XRSCXOXSEZONLP-OKILXGFUSA-N 2 1 293.386 1.190 20 10 CDCDMP Cn1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000771868672 575630093 /nfs/dbraw/zinc/63/00/93/575630093.db2.gz NTJAMIAXIQRWBV-UHFFFAOYSA-N 2 1 299.422 1.462 20 10 CDCDMP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)cc(F)c1O ZINC000774383622 575944477 /nfs/dbraw/zinc/94/44/77/575944477.db2.gz ZDFMMZAALNBQAL-JTQLQIEISA-N 2 1 288.338 1.899 20 10 CDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843058455 618691949 /nfs/dbraw/zinc/69/19/49/618691949.db2.gz SMLPCBGVLFIBFW-WDEREUQCSA-N 2 1 250.342 1.570 20 10 CDCDMP COc1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000019505155 1172114602 /nfs/dbraw/zinc/11/46/02/1172114602.db2.gz MTVIXVMVXRKZNV-OAHLLOKOSA-N 2 1 289.423 1.817 20 10 CDCDMP COCCC[NH+]1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000237202126 1178597955 /nfs/dbraw/zinc/59/79/55/1178597955.db2.gz NXTBYFPSRDDIAF-UHFFFAOYSA-N 2 1 278.396 1.983 20 10 CDCDMP C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C1C[NH2+]C1 ZINC000925764345 843271767 /nfs/dbraw/zinc/27/17/67/843271767.db2.gz YNKVQDYFTBNNTE-AWEZNQCLSA-N 2 1 288.439 1.136 20 10 CDCDMP CC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)CC[C@@H]1[NH3+] ZINC000843053813 843587689 /nfs/dbraw/zinc/58/76/89/843587689.db2.gz SHPGNWWBJUWLTO-YPMHNXCESA-N 2 1 264.369 1.960 20 10 CDCDMP CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000841091860 843855666 /nfs/dbraw/zinc/85/56/66/843855666.db2.gz HULVOGRJUNDWOZ-CYBMUJFWSA-N 2 1 283.391 1.423 20 10 CDCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000841091860 843855671 /nfs/dbraw/zinc/85/56/71/843855671.db2.gz HULVOGRJUNDWOZ-CYBMUJFWSA-N 2 1 283.391 1.423 20 10 CDCDMP Cc1cccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1O ZINC000843053278 845350224 /nfs/dbraw/zinc/35/02/24/845350224.db2.gz SMOMGTAMJNWABX-UHFFFAOYSA-N 2 1 263.385 1.038 20 10 CDCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000841085408 845448661 /nfs/dbraw/zinc/44/86/61/845448661.db2.gz BHZJWGDGXOHNDR-HNNXBMFYSA-N 2 1 263.385 1.221 20 10 CDCDMP COc1ccc(N2CCC[N@H+](CC(C)(C)[NH3+])CC2)cc1 ZINC000843060746 846070567 /nfs/dbraw/zinc/07/05/67/846070567.db2.gz OBZRTBKQIBIVLN-UHFFFAOYSA-N 2 1 277.412 1.945 20 10 CDCDMP COc1ccc(N2CCC[N@@H+](CC(C)(C)[NH3+])CC2)cc1 ZINC000843060746 846070574 /nfs/dbraw/zinc/07/05/74/846070574.db2.gz OBZRTBKQIBIVLN-UHFFFAOYSA-N 2 1 277.412 1.945 20 10 CDCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1O ZINC000702572717 846565564 /nfs/dbraw/zinc/56/55/64/846565564.db2.gz IKZNFFOATRQMCV-RISCZKNCSA-N 2 1 250.342 1.109 20 10 CDCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1O ZINC000702572717 846565579 /nfs/dbraw/zinc/56/55/79/846565579.db2.gz IKZNFFOATRQMCV-RISCZKNCSA-N 2 1 250.342 1.109 20 10 CDCDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841029926 847175749 /nfs/dbraw/zinc/17/57/49/847175749.db2.gz OYEUJFUADWZJBY-INIZCTEOSA-N 2 1 277.412 1.596 20 10 CDCDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000843056793 847665828 /nfs/dbraw/zinc/66/58/28/847665828.db2.gz AEMIBZTVUVKROJ-GOEBONIOSA-N 2 1 289.423 1.692 20 10 CDCDMP [NH3+]C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000841088552 847783212 /nfs/dbraw/zinc/78/32/12/847783212.db2.gz ZFTIOAPDVNVDGG-LBPRGKRZSA-N 2 1 278.352 1.728 20 10 CDCDMP COc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(OC)c1 ZINC001206175321 911928982 /nfs/dbraw/zinc/92/89/82/911928982.db2.gz UFDZUUBFXCSMLE-STQMWFEESA-N 2 1 298.358 1.671 20 10 CDCDMP CCN1CCC([N@@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144508863 931874399 /nfs/dbraw/zinc/87/43/99/931874399.db2.gz BFJFSPKYUCSLCF-UHFFFAOYSA-N 2 1 280.368 1.720 20 10 CDCDMP CC[NH+]1CCC([N@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144508863 931874405 /nfs/dbraw/zinc/87/44/05/931874405.db2.gz BFJFSPKYUCSLCF-UHFFFAOYSA-N 2 1 280.368 1.720 20 10 CDCDMP CC[NH+]1CCC([N@@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144508863 931874409 /nfs/dbraw/zinc/87/44/09/931874409.db2.gz BFJFSPKYUCSLCF-UHFFFAOYSA-N 2 1 280.368 1.720 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222085749 941561570 /nfs/dbraw/zinc/56/15/70/941561570.db2.gz JOYJVGRYOGWYDU-UHFFFAOYSA-N 2 1 288.439 1.280 20 10 CDCDMP CC[N@H+](CCC[NH+](C)C)Cc1cc(O)c(O)cc1O ZINC001233487150 943595891 /nfs/dbraw/zinc/59/58/91/943595891.db2.gz RYLUYZXYPBPULC-UHFFFAOYSA-N 2 1 268.357 1.577 20 10 CDCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(O)c(O)cc1O ZINC001233487150 943595893 /nfs/dbraw/zinc/59/58/93/943595893.db2.gz RYLUYZXYPBPULC-UHFFFAOYSA-N 2 1 268.357 1.577 20 10 CDCDMP Cc1ccc(C)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1O ZINC001234988127 943996985 /nfs/dbraw/zinc/99/69/85/943996985.db2.gz QGWGGYVJHHGGGR-INIZCTEOSA-N 2 1 275.396 1.146 20 10 CDCDMP Cc1c(O)ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237403248 944757519 /nfs/dbraw/zinc/75/75/19/944757519.db2.gz KGVGEZNEXFBATR-OCCSQVGLSA-N 2 1 276.380 1.980 20 10 CDCDMP Oc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237402053 944757676 /nfs/dbraw/zinc/75/76/76/944757676.db2.gz GHOBVFCAYPEUGJ-MFKMUULPSA-N 2 1 278.352 1.377 20 10 CDCDMP C[NH2+]C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001333692305 958518733 /nfs/dbraw/zinc/51/87/33/958518733.db2.gz JUBPGRJMMHDNKQ-CYBMUJFWSA-N 2 1 294.418 1.275 20 10 CDCDMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000272581061 371115264 /nfs/dbraw/zinc/11/52/64/371115264.db2.gz GSWGXZCFKHCDRD-UHFFFAOYSA-N 2 1 250.317 1.883 20 10 CDCDMP COc1cc(C)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000894097325 618392128 /nfs/dbraw/zinc/39/21/28/618392128.db2.gz JMKWKMYDKVMKEH-BETUJISGSA-N 2 1 262.353 1.360 20 10 CDCDMP COc1c(O)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841084971 628056013 /nfs/dbraw/zinc/05/60/13/628056013.db2.gz RCKMOYHQUSGVMN-ONGXEEELSA-N 2 1 295.339 1.526 20 10 CDCDMP C[C@H](O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776520915 697651531 /nfs/dbraw/zinc/65/15/31/697651531.db2.gz IKQGLUNGGLZOAW-AWEZNQCLSA-N 2 1 277.412 1.251 20 10 CDCDMP CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)CC[C@H]1[NH3+] ZINC000843052848 698309809 /nfs/dbraw/zinc/30/98/09/698309809.db2.gz VRXPTDUUZLXAMP-WCQYABFASA-N 2 1 294.395 1.969 20 10 CDCDMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000305109983 698759375 /nfs/dbraw/zinc/75/93/75/698759375.db2.gz FKRTVJBWPYNDQB-WFASDCNBSA-N 2 1 265.401 1.326 20 10 CDCDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]21 ZINC000843059902 704825357 /nfs/dbraw/zinc/82/53/57/704825357.db2.gz UGDAGKSQQOVDGJ-KGYLQXTDSA-N 2 1 290.363 1.680 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000843053361 705048999 /nfs/dbraw/zinc/04/89/99/705048999.db2.gz XUTBJSJLCGDWLF-UHFFFAOYSA-N 2 1 290.455 1.398 20 10 CDCDMP CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(O)c1 ZINC000843126289 848425228 /nfs/dbraw/zinc/42/52/28/848425228.db2.gz HUHPEXPCRMPPEG-IUODEOHRSA-N 2 1 276.380 1.975 20 10 CDCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000843044581 849109203 /nfs/dbraw/zinc/10/92/03/849109203.db2.gz KFKWFMBMHIUXHU-GFCCVEGCSA-N 2 1 264.369 1.832 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1O ZINC000130568744 850030718 /nfs/dbraw/zinc/03/07/18/850030718.db2.gz MKWMTDCGXFYMIS-YUTCNCBUSA-N 2 1 276.380 1.960 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1(C)COC1 ZINC001139413781 936617999 /nfs/dbraw/zinc/61/79/99/936617999.db2.gz ZREAYBWNMMDTFS-UHFFFAOYSA-N 2 1 289.423 1.659 20 10 CDCDMP C[N@H+]1CC[C@@]2(CCN(Cc3cc(O)ccc3O)C2)C1 ZINC001141160934 936822706 /nfs/dbraw/zinc/82/27/06/936822706.db2.gz JWMKTERRCALENT-OAHLLOKOSA-N 2 1 262.353 1.625 20 10 CDCDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(O)ccc3O)C2)C1 ZINC001141160934 936822707 /nfs/dbraw/zinc/82/27/07/936822707.db2.gz JWMKTERRCALENT-OAHLLOKOSA-N 2 1 262.353 1.625 20 10 CDCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(O)ccc3O)C2)C1 ZINC001141160934 936822709 /nfs/dbraw/zinc/82/27/09/936822709.db2.gz JWMKTERRCALENT-OAHLLOKOSA-N 2 1 262.353 1.625 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1C[NH3+] ZINC001205140340 939827488 /nfs/dbraw/zinc/82/74/88/939827488.db2.gz HIIMRLDKKRGPTE-GOEBONIOSA-N 3 1 288.439 1.123 20 10 CDCDMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(O)cc1O ZINC001205639297 939911125 /nfs/dbraw/zinc/91/11/25/939911125.db2.gz YRNJXWIWUMGZKH-NWDGAFQWSA-N 2 1 294.395 1.913 20 10 CDCDMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(O)c(O)cc1O ZINC001233487277 943595225 /nfs/dbraw/zinc/59/52/25/943595225.db2.gz XJJZUTBVTXARPU-UHFFFAOYSA-N 2 1 282.384 1.967 20 10 CDCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(O)c(O)cc1O ZINC001233487277 943595226 /nfs/dbraw/zinc/59/52/26/943595226.db2.gz XJJZUTBVTXARPU-UHFFFAOYSA-N 2 1 282.384 1.967 20 10 CDCDMP CCc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235999825 944369151 /nfs/dbraw/zinc/36/91/51/944369151.db2.gz LVBTXLQVQJHRLJ-MZBDJJRSSA-N 2 1 276.380 1.360 20 10 CDCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC[NH2+]1 ZINC001236094292 944402778 /nfs/dbraw/zinc/40/27/78/944402778.db2.gz AHSRQTZOQGERKE-HNNXBMFYSA-N 3 1 288.439 1.280 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCC[NH2+]1 ZINC001236094292 944402781 /nfs/dbraw/zinc/40/27/81/944402781.db2.gz AHSRQTZOQGERKE-HNNXBMFYSA-N 3 1 288.439 1.280 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000770394978 575445094 /nfs/dbraw/zinc/44/50/94/575445094.db2.gz OHZASDKXAPXTDX-BETUJISGSA-N 2 1 263.360 1.543 20 10 CDCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000770394978 575445097 /nfs/dbraw/zinc/44/50/97/575445097.db2.gz OHZASDKXAPXTDX-BETUJISGSA-N 2 1 263.360 1.543 20 10 CDCDMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c(O)c1C ZINC000756554806 576995434 /nfs/dbraw/zinc/99/54/34/576995434.db2.gz JEMUODOSNHXXPQ-STQMWFEESA-N 2 1 266.385 1.582 20 10 CDCDMP COc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904421278 626295630 /nfs/dbraw/zinc/29/56/30/626295630.db2.gz WPPVTZBLTMYCFN-WCQYABFASA-N 2 1 262.353 1.442 20 10 CDCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000044532668 630549289 /nfs/dbraw/zinc/54/92/89/630549289.db2.gz JZKGXGUXBNEEEA-NSHDSACASA-N 2 1 278.352 1.552 20 10 CDCDMP COc1cc(O)c(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000843056019 706021960 /nfs/dbraw/zinc/02/19/60/706021960.db2.gz CHBQDEXUOUHCBN-UHFFFAOYSA-N 2 1 282.384 1.826 20 10 CDCDMP COc1c(O)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000841059161 709647673 /nfs/dbraw/zinc/64/76/73/709647673.db2.gz ZZFURLNAFYKLOL-GHMZBOCLSA-N 2 1 295.339 1.669 20 10 CDCDMP Cc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923378987 709908169 /nfs/dbraw/zinc/90/81/69/709908169.db2.gz MRSBZJIIABIGHE-OAHLLOKOSA-N 2 1 277.412 1.611 20 10 CDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000775677559 710144895 /nfs/dbraw/zinc/14/48/95/710144895.db2.gz OBXWAPFXPNJIHH-QGZVFWFLSA-N 2 1 289.423 1.659 20 10 CDCDMP C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000788271162 710369194 /nfs/dbraw/zinc/36/91/94/710369194.db2.gz ZRXYGLVTBLFNBD-PBHICJAKSA-N 2 1 289.423 1.394 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000070171743 710830195 /nfs/dbraw/zinc/83/01/95/710830195.db2.gz FXMVBDOIIDMCQB-NWDGAFQWSA-N 2 1 264.369 1.960 20 10 CDCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000305115044 711723327 /nfs/dbraw/zinc/72/33/27/711723327.db2.gz HOWWSFCEDZKQQC-XJKSGUPXSA-N 2 1 279.428 1.716 20 10 CDCDMP COCC[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139252949 936611453 /nfs/dbraw/zinc/61/14/53/936611453.db2.gz GKOIZXWRSOSAAG-UHFFFAOYSA-N 2 1 282.384 1.541 20 10 CDCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001275267145 931718972 /nfs/dbraw/zinc/71/89/72/931718972.db2.gz KOKUBZCWWMQINB-GOEBONIOSA-N 2 1 289.423 1.460 20 10 CDCDMP COc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205210505 939835390 /nfs/dbraw/zinc/83/53/90/939835390.db2.gz PBDCROYOFURPQU-OAHLLOKOSA-N 2 1 280.368 1.077 20 10 CDCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205280751 939877120 /nfs/dbraw/zinc/87/71/20/939877120.db2.gz HVURDGDPTUOMJJ-AWEZNQCLSA-N 2 1 266.341 1.507 20 10 CDCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205662571 939913182 /nfs/dbraw/zinc/91/31/82/939913182.db2.gz CGKBYCXZIVYAPO-INIZCTEOSA-N 2 1 277.412 1.428 20 10 CDCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205947036 939959097 /nfs/dbraw/zinc/95/90/97/939959097.db2.gz VJMCGEGLVILIGA-QZTJIDSGSA-N 2 1 299.418 1.988 20 10 CDCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205947036 939959099 /nfs/dbraw/zinc/95/90/99/939959099.db2.gz VJMCGEGLVILIGA-QZTJIDSGSA-N 2 1 299.418 1.988 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3O)cc2F)CC1 ZINC001336777809 960576945 /nfs/dbraw/zinc/57/69/45/960576945.db2.gz QFGWDSHFAHNILJ-GDBMZVCRSA-N 2 1 293.386 1.190 20 10 CDCDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000180230457 357253832 /nfs/dbraw/zinc/25/38/32/357253832.db2.gz SRFNLKMIYBKKCC-LBPRGKRZSA-N 2 1 264.369 1.784 20 10 CDCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000770394988 575445232 /nfs/dbraw/zinc/44/52/32/575445232.db2.gz OHZASDKXAPXTDX-STQMWFEESA-N 2 1 263.360 1.543 20 10 CDCDMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(O)c1 ZINC000843057531 618691216 /nfs/dbraw/zinc/69/12/16/618691216.db2.gz JLPTXSNSWAKTMP-NWDGAFQWSA-N 2 1 264.369 1.960 20 10 CDCDMP COc1c(O)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843129942 618694309 /nfs/dbraw/zinc/69/43/09/618694309.db2.gz VBENRVGXXFJTRZ-DTWKUNHWSA-N 2 1 283.328 1.524 20 10 CDCDMP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cn1cccn1 ZINC001579218197 1172118085 /nfs/dbraw/zinc/11/80/85/1172118085.db2.gz YHVKMHJQQNLZPU-QLPKVWCKSA-N 2 1 298.390 1.247 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000817961847 712274763 /nfs/dbraw/zinc/27/47/63/712274763.db2.gz DOSBEZKGQHUCGR-UWVGGRQHSA-N 2 1 266.341 1.424 20 10 CDCDMP CCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1O ZINC000380709672 712380513 /nfs/dbraw/zinc/38/05/13/712380513.db2.gz IBMJFCOEVGXBCD-OCCSQVGLSA-N 2 1 276.380 1.975 20 10 CDCDMP C[C@H]([NH2+]CCOCC[NH+](C)C)c1c(O)cccc1F ZINC000886599062 712756096 /nfs/dbraw/zinc/75/60/96/712756096.db2.gz PZMRQNQWLDHDCX-NSHDSACASA-N 2 1 270.348 1.760 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000873217961 712797113 /nfs/dbraw/zinc/79/71/13/712797113.db2.gz VXWRHMZGKXUMTQ-UHFFFAOYSA-N 2 1 291.439 1.607 20 10 CDCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001140299758 936699138 /nfs/dbraw/zinc/69/91/38/936699138.db2.gz FCFIURLUSLUYNI-QGZVFWFLSA-N 2 1 289.423 1.395 20 10 CDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)C3)cc2)CC1 ZINC000775638091 924468905 /nfs/dbraw/zinc/46/89/05/924468905.db2.gz AFXYYFSBJJYQAB-QGZVFWFLSA-N 2 1 289.423 1.395 20 10 CDCDMP CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1[NH3+] ZINC000843053664 937107659 /nfs/dbraw/zinc/10/76/59/937107659.db2.gz QBLUCGODVBCCFH-JQWIXIFHSA-N 2 1 278.352 1.680 20 10 CDCDMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1O ZINC000843120166 937114414 /nfs/dbraw/zinc/11/44/14/937114414.db2.gz GPIYLOUPGLFOOM-UHFFFAOYSA-N 2 1 276.380 1.976 20 10 CDCDMP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1c(O)cccc1F ZINC000886493495 930893110 /nfs/dbraw/zinc/89/31/10/930893110.db2.gz NWVLWQHSPMEABV-CYBMUJFWSA-N 2 1 295.402 1.819 20 10 CDCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204280007 939752803 /nfs/dbraw/zinc/75/28/03/939752803.db2.gz IKQLBHBMJCDPJE-HNNXBMFYSA-N 2 1 262.353 1.625 20 10 CDCDMP Oc1ccc(F)c(Cl)c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234994475 944002180 /nfs/dbraw/zinc/00/21/80/944002180.db2.gz XMOCERJQNZNIOA-AWEZNQCLSA-N 2 1 299.777 1.322 20 10 CDCDMP Oc1cccc2c1[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CC2 ZINC000295939453 378702680 /nfs/dbraw/zinc/70/26/80/378702680.db2.gz KVNHNMRMZMNGOT-OAHLLOKOSA-N 2 1 290.407 1.816 20 10 CDCDMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC000708834581 1159463738 /nfs/dbraw/zinc/46/37/38/1159463738.db2.gz FYMMRRADHLQDGR-CMPLNLGQSA-N 2 1 250.342 1.427 20 10 CDCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000840919685 617706640 /nfs/dbraw/zinc/70/66/40/617706640.db2.gz APVMPDSGRPSTBG-GASCZTMLSA-N 2 1 259.397 1.712 20 10 CDCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)OCO2 ZINC000843128933 618693754 /nfs/dbraw/zinc/69/37/54/618693754.db2.gz ZRLQEBLDJUZNLA-JQWIXIFHSA-N 2 1 276.336 1.305 20 10 CDCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)OCO2 ZINC000843128933 618693756 /nfs/dbraw/zinc/69/37/56/618693756.db2.gz ZRLQEBLDJUZNLA-JQWIXIFHSA-N 2 1 276.336 1.305 20 10 CDCDMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cc1O ZINC000876928401 1165941509 /nfs/dbraw/zinc/94/15/09/1165941509.db2.gz CEIIDHDTPLIGKW-UHFFFAOYSA-N 2 1 266.385 1.759 20 10 CDCDMP CCc1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1O ZINC001578266391 1171856090 /nfs/dbraw/zinc/85/60/90/1171856090.db2.gz HUXYFCXMRQNGQX-INIZCTEOSA-N 2 1 289.423 1.434 20 10 CDCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000305115043 906714861 /nfs/dbraw/zinc/71/48/61/906714861.db2.gz HOWWSFCEDZKQQC-CZUORRHYSA-N 2 1 279.428 1.716 20 10 CDCDMP Cc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206530611 918006334 /nfs/dbraw/zinc/00/63/34/918006334.db2.gz MXNRHZDPJAJVFT-GWCFXTLKSA-N 2 1 270.760 1.105 20 10 CDCDMP Cc1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206530611 918006346 /nfs/dbraw/zinc/00/63/46/918006346.db2.gz MXNRHZDPJAJVFT-GWCFXTLKSA-N 2 1 270.760 1.105 20 10 CDCDMP COc1cc(C[N@@H+](C)[C@H]2CCOC2)cc(C[NH+](C)C)c1O ZINC001139257140 936611911 /nfs/dbraw/zinc/61/19/11/936611911.db2.gz SQQOBWCFYCKTFH-AWEZNQCLSA-N 2 1 294.395 1.683 20 10 CDCDMP C[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@H]1C[NH3+] ZINC001205639335 923876699 /nfs/dbraw/zinc/87/66/99/923876699.db2.gz ZAGLNXPHXMWMGD-ZYHUDNBSSA-N 2 1 280.368 1.610 20 10 CDCDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCC1(F)F ZINC001205762734 924838105 /nfs/dbraw/zinc/83/81/05/924838105.db2.gz NBSAFDQMEJXCTP-SNVBAGLBSA-N 2 1 272.295 1.514 20 10 CDCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)CCC1(F)F ZINC001205762734 924838113 /nfs/dbraw/zinc/83/81/13/924838113.db2.gz NBSAFDQMEJXCTP-SNVBAGLBSA-N 2 1 272.295 1.514 20 10 CDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000843052860 937107030 /nfs/dbraw/zinc/10/70/30/937107030.db2.gz WSMMSBBTPOIZII-YOEHRIQHSA-N 2 1 289.423 1.692 20 10 CDCDMP Cc1cc(O)c(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1C ZINC000843052980 937107126 /nfs/dbraw/zinc/10/71/26/937107126.db2.gz RWWFBXQWWHZSNA-UHFFFAOYSA-N 2 1 277.412 1.346 20 10 CDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000817946013 930641258 /nfs/dbraw/zinc/64/12/58/930641258.db2.gz PXYFITNLIQCGTC-VXGBXAGGSA-N 2 1 292.379 1.829 20 10 CDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000817983135 930658582 /nfs/dbraw/zinc/65/85/82/930658582.db2.gz YSUYMGJJQROBHO-LOWVWBTDSA-N 2 1 292.379 1.957 20 10 CDCDMP COc1cccc(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1O ZINC001203599179 939695399 /nfs/dbraw/zinc/69/53/99/939695399.db2.gz BPGZBVJTSVMCSF-OCCSQVGLSA-N 2 1 276.380 1.927 20 10 CDCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001206318728 940016835 /nfs/dbraw/zinc/01/68/35/940016835.db2.gz SYJQHYLGUWJWEZ-HNNXBMFYSA-N 2 1 280.368 1.754 20 10 CDCDMP Cc1ccc(C)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222095054 941563560 /nfs/dbraw/zinc/56/35/60/941563560.db2.gz NQOYCOBUOOATNX-UHFFFAOYSA-N 2 1 289.423 1.536 20 10 CDCDMP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(O)cc1O ZINC001231638671 942953907 /nfs/dbraw/zinc/95/39/07/942953907.db2.gz DAOKMFNCXJTCAJ-UHFFFAOYSA-N 2 1 282.384 1.880 20 10 CDCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(O)cc1O ZINC001231638671 942953915 /nfs/dbraw/zinc/95/39/15/942953915.db2.gz DAOKMFNCXJTCAJ-UHFFFAOYSA-N 2 1 282.384 1.880 20 10 CDCDMP Cc1c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c2ccccc2n1C ZINC001234981809 943993683 /nfs/dbraw/zinc/99/36/83/943993683.db2.gz LNDYNSDYXVGNPU-SFHVURJKSA-N 2 1 298.434 1.624 20 10 CDCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235842902 944295973 /nfs/dbraw/zinc/29/59/73/944295973.db2.gz TXJJBCYNVRCXNF-MRXNPFEDSA-N 3 1 288.439 1.138 20 10 CDCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235842902 944295982 /nfs/dbraw/zinc/29/59/82/944295982.db2.gz TXJJBCYNVRCXNF-MRXNPFEDSA-N 2 1 288.439 1.138 20 10 CDCDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(N)cc3)CC2)C1 ZINC001345160081 964610134 /nfs/dbraw/zinc/61/01/34/964610134.db2.gz QSJVWVMOICYDAD-QGZVFWFLSA-N 2 1 288.439 1.481 20 10 CDCDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(N)cc3)CC2)C1 ZINC001345160081 964610137 /nfs/dbraw/zinc/61/01/37/964610137.db2.gz QSJVWVMOICYDAD-QGZVFWFLSA-N 2 1 288.439 1.481 20 10 CDCDMP Nc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC001356083493 969328819 /nfs/dbraw/zinc/32/88/19/969328819.db2.gz PQNNCRMOWUMCDL-USXIJHARSA-N 2 1 289.423 1.987 20 10 CDCDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768448667 576284714 /nfs/dbraw/zinc/28/47/14/576284714.db2.gz WDCNPTTUZIFLJZ-IAQYHMDHSA-N 2 1 292.379 1.202 20 10 CDCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768448667 576284716 /nfs/dbraw/zinc/28/47/16/576284716.db2.gz WDCNPTTUZIFLJZ-IAQYHMDHSA-N 2 1 292.379 1.202 20 10 CDCDMP