smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000216625490 364042707 /nfs/dbraw/zinc/04/27/07/364042707.db2.gz XHBAVBNKOVUULU-CABCVRRESA-N 2 2 273.380 1.502 20 70 CDIDLP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000216625490 364042714 /nfs/dbraw/zinc/04/27/14/364042714.db2.gz XHBAVBNKOVUULU-CABCVRRESA-N 2 2 273.380 1.502 20 70 CDIDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181610 364460998 /nfs/dbraw/zinc/46/09/98/364460998.db2.gz DXWXLQZQXXNTMS-IJEWVQPXSA-N 2 2 289.423 1.764 20 70 CDIDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181610 364461002 /nfs/dbraw/zinc/46/10/02/364461002.db2.gz DXWXLQZQXXNTMS-IJEWVQPXSA-N 2 2 289.423 1.764 20 70 CDIDLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161379291 539117585 /nfs/dbraw/zinc/11/75/85/539117585.db2.gz JXUCULJSLHTGJY-CYBMUJFWSA-N 2 2 290.411 1.507 20 70 CDIDLP C[NH+]1CCC(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000218094086 344859089 /nfs/dbraw/zinc/85/90/89/344859089.db2.gz WVMLRQYVLMNZGX-CQSZACIVSA-N 2 2 288.395 1.118 20 70 CDIDLP Cc1[nH+]ccn1CCCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000160902529 362539686 /nfs/dbraw/zinc/53/96/86/362539686.db2.gz QKDUGSKWZNSSTO-UHFFFAOYSA-N 2 2 290.371 1.120 20 70 CDIDLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161407780 377618236 /nfs/dbraw/zinc/61/82/36/377618236.db2.gz XWGQKLSKZRRCTA-CQSZACIVSA-N 2 2 290.411 1.246 20 70 CDIDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161494439 285200350 /nfs/dbraw/zinc/20/03/50/285200350.db2.gz PMDDMOJYEIZCQL-UYSNPLJNSA-N 2 2 281.444 1.898 20 70 CDIDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161494439 285200351 /nfs/dbraw/zinc/20/03/51/285200351.db2.gz PMDDMOJYEIZCQL-UYSNPLJNSA-N 2 2 281.444 1.898 20 70 CDIDLP CC(=O)NC1CCC([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000161216666 519644412 /nfs/dbraw/zinc/64/44/12/519644412.db2.gz QBKPBILZJOQQSW-UHFFFAOYSA-N 2 2 255.406 1.364 20 70 CDIDLP C[NH2+]CCC[N@H+](C)Cc1cncc(Br)c1 ZINC000160781023 521993503 /nfs/dbraw/zinc/99/35/03/521993503.db2.gz JPBHPWLNTWWHSE-UHFFFAOYSA-N 2 2 272.190 1.885 20 70 CDIDLP C[NH2+]CCC[N@@H+](C)Cc1cncc(Br)c1 ZINC000160781023 521993509 /nfs/dbraw/zinc/99/35/09/521993509.db2.gz JPBHPWLNTWWHSE-UHFFFAOYSA-N 2 2 272.190 1.885 20 70 CDIDLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161325482 539117505 /nfs/dbraw/zinc/11/75/05/539117505.db2.gz VFAKDAJILRFXNB-CQSZACIVSA-N 2 2 290.411 1.364 20 70 CDIDLP O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159820777 364270120 /nfs/dbraw/zinc/27/01/20/364270120.db2.gz DFTYISYAJRSNHG-CQSZACIVSA-N 2 2 288.351 1.257 20 70 CDIDLP O=C(NCc1ccco1)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000159820777 364270122 /nfs/dbraw/zinc/27/01/22/364270122.db2.gz DFTYISYAJRSNHG-CQSZACIVSA-N 2 2 288.351 1.257 20 70 CDIDLP C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000161354622 277285171 /nfs/dbraw/zinc/28/51/71/277285171.db2.gz XURRHQXDWRFESK-OAHLLOKOSA-N 2 2 284.363 1.696 20 70 CDIDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159992907 342072908 /nfs/dbraw/zinc/07/29/08/342072908.db2.gz DRJGRJXKAXCTBZ-CMPLNLGQSA-N 2 2 278.352 1.736 20 70 CDIDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159992907 342072909 /nfs/dbraw/zinc/07/29/09/342072909.db2.gz DRJGRJXKAXCTBZ-CMPLNLGQSA-N 2 2 278.352 1.736 20 70 CDIDLP CCSCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159420624 361692875 /nfs/dbraw/zinc/69/28/75/361692875.db2.gz ZTBOUDPLHQTJMG-ZDUSSCGKSA-N 2 2 285.457 1.154 20 70 CDIDLP CCSCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159420624 361692880 /nfs/dbraw/zinc/69/28/80/361692880.db2.gz ZTBOUDPLHQTJMG-ZDUSSCGKSA-N 2 2 285.457 1.154 20 70 CDIDLP c1cn(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c[nH+]1 ZINC000161359532 539117525 /nfs/dbraw/zinc/11/75/25/539117525.db2.gz DMCKIPUPQNEILK-UHFFFAOYSA-N 3 2 257.341 1.100 20 70 CDIDLP Cc1[nH+]c2ccccn2c1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000160118364 363675927 /nfs/dbraw/zinc/67/59/27/363675927.db2.gz RNIBBYRLXPZEIL-AWEZNQCLSA-N 2 2 288.395 1.405 20 70 CDIDLP CC(C)COC(=O)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000159788601 364265397 /nfs/dbraw/zinc/26/53/97/364265397.db2.gz KWPPXHMMWJCKKW-UHFFFAOYSA-N 2 2 294.399 1.683 20 70 CDIDLP CC(C)COC(=O)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000159788601 364265398 /nfs/dbraw/zinc/26/53/98/364265398.db2.gz KWPPXHMMWJCKKW-UHFFFAOYSA-N 2 2 294.399 1.683 20 70 CDIDLP CC[C@H](C)[N@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000217744930 391759081 /nfs/dbraw/zinc/75/90/81/391759081.db2.gz QBRFEOVHIGMQPH-LBPRGKRZSA-N 2 2 267.421 1.306 20 70 CDIDLP CC[C@H](C)[N@@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000217744930 391759084 /nfs/dbraw/zinc/75/90/84/391759084.db2.gz QBRFEOVHIGMQPH-LBPRGKRZSA-N 2 2 267.421 1.306 20 70 CDIDLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000217540860 392960003 /nfs/dbraw/zinc/96/00/03/392960003.db2.gz CJCHLIRWKNEOPE-MCIONIFRSA-N 2 2 267.417 1.162 20 70 CDIDLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000217540860 392960005 /nfs/dbraw/zinc/96/00/05/392960005.db2.gz CJCHLIRWKNEOPE-MCIONIFRSA-N 2 2 267.417 1.162 20 70 CDIDLP CC[C@@](C)(O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000160664136 523661678 /nfs/dbraw/zinc/66/16/78/523661678.db2.gz LQRJJWIXBPNGQS-UKRRQHHQSA-N 2 2 270.417 1.333 20 70 CDIDLP CC[C@@](C)(O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000160664136 523661685 /nfs/dbraw/zinc/66/16/85/523661685.db2.gz LQRJJWIXBPNGQS-UKRRQHHQSA-N 2 2 270.417 1.333 20 70 CDIDLP CCCCCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161382653 539117623 /nfs/dbraw/zinc/11/76/23/539117623.db2.gz HOJJBDOIBHCQCR-UHFFFAOYSA-N 2 2 290.411 1.510 20 70 CDIDLP Cc1csc2nc(C[N@@H+](C)[C@@H](C[NH3+])C3CC3)cc(=O)n12 ZINC000159992474 362384777 /nfs/dbraw/zinc/38/47/77/362384777.db2.gz DLCHAEIPLAZYAM-LBPRGKRZSA-N 2 2 292.408 1.234 20 70 CDIDLP Cc1csc2nc(C[N@H+](C)[C@@H](C[NH3+])C3CC3)cc(=O)n12 ZINC000159992474 362384782 /nfs/dbraw/zinc/38/47/82/362384782.db2.gz DLCHAEIPLAZYAM-LBPRGKRZSA-N 2 2 292.408 1.234 20 70 CDIDLP COc1ccccc1C[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000160974903 362580479 /nfs/dbraw/zinc/58/04/79/362580479.db2.gz YESFFCZGCPGIJF-KGLIPLIRSA-N 2 2 264.369 1.633 20 70 CDIDLP COc1ccccc1C[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000160974903 362580483 /nfs/dbraw/zinc/58/04/83/362580483.db2.gz YESFFCZGCPGIJF-KGLIPLIRSA-N 2 2 264.369 1.633 20 70 CDIDLP C[NH+]1CCC(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161094666 523759566 /nfs/dbraw/zinc/75/95/66/523759566.db2.gz VCZPYRMYNADNJE-AWEZNQCLSA-N 2 2 290.411 1.294 20 70 CDIDLP CCC(=O)N[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160757218 528408131 /nfs/dbraw/zinc/40/81/31/528408131.db2.gz KVHQHIDYHQGBJF-OAHLLOKOSA-N 2 2 281.444 1.853 20 70 CDIDLP CCC(=O)N[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160757218 528408134 /nfs/dbraw/zinc/40/81/34/528408134.db2.gz KVHQHIDYHQGBJF-OAHLLOKOSA-N 2 2 281.444 1.853 20 70 CDIDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000160648937 364389609 /nfs/dbraw/zinc/38/96/09/364389609.db2.gz FKDYBLQIMGLHRC-ZFWWWQNUSA-N 2 2 277.412 1.653 20 70 CDIDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000160648937 364389612 /nfs/dbraw/zinc/38/96/12/364389612.db2.gz FKDYBLQIMGLHRC-ZFWWWQNUSA-N 2 2 277.412 1.653 20 70 CDIDLP CC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000161146574 377159270 /nfs/dbraw/zinc/15/92/70/377159270.db2.gz LXXFKHWXPDACAJ-ZDUSSCGKSA-N 2 2 278.400 1.292 20 70 CDIDLP CC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000161146574 377159274 /nfs/dbraw/zinc/15/92/74/377159274.db2.gz LXXFKHWXPDACAJ-ZDUSSCGKSA-N 2 2 278.400 1.292 20 70 CDIDLP C[C@@]([NH2+]CCC[NH+]1CCCCC1)(C(N)=O)c1ccccc1 ZINC000161442541 525755126 /nfs/dbraw/zinc/75/51/26/525755126.db2.gz LSZIXASCACKJIV-KRWDZBQOSA-N 2 2 289.423 1.853 20 70 CDIDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159992954 342072977 /nfs/dbraw/zinc/07/29/77/342072977.db2.gz DRJGRJXKAXCTBZ-PWSUYJOCSA-N 2 2 278.352 1.736 20 70 CDIDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159992954 342072978 /nfs/dbraw/zinc/07/29/78/342072978.db2.gz DRJGRJXKAXCTBZ-PWSUYJOCSA-N 2 2 278.352 1.736 20 70 CDIDLP CC[NH+]1CCC([N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000161350426 521562627 /nfs/dbraw/zinc/56/26/27/521562627.db2.gz ZIVCASXVVSIKCO-UHFFFAOYSA-N 3 2 264.417 1.998 20 70 CDIDLP CC[NH+]1CCC([N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000161350426 521562631 /nfs/dbraw/zinc/56/26/31/521562631.db2.gz ZIVCASXVVSIKCO-UHFFFAOYSA-N 3 2 264.417 1.998 20 70 CDIDLP CCC(CC)(C[NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000161270872 362364556 /nfs/dbraw/zinc/36/45/56/362364556.db2.gz NALFFOXWHQSVSO-UHFFFAOYSA-N 2 2 292.427 1.643 20 70 CDIDLP CNC(=O)[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161420644 358801980 /nfs/dbraw/zinc/80/19/80/358801980.db2.gz MWXWGAAGIKFVEU-CQSZACIVSA-N 2 2 267.417 1.463 20 70 CDIDLP CNC(=O)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161420644 358801985 /nfs/dbraw/zinc/80/19/85/358801985.db2.gz MWXWGAAGIKFVEU-CQSZACIVSA-N 2 2 267.417 1.463 20 70 CDIDLP COC(=O)c1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159744398 362361541 /nfs/dbraw/zinc/36/15/41/362361541.db2.gz ARCJBXFIJPGQFQ-AWEZNQCLSA-N 2 2 262.353 1.642 20 70 CDIDLP COC(=O)c1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159744398 362361549 /nfs/dbraw/zinc/36/15/49/362361549.db2.gz ARCJBXFIJPGQFQ-AWEZNQCLSA-N 2 2 262.353 1.642 20 70 CDIDLP CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000159791569 364265200 /nfs/dbraw/zinc/26/52/00/364265200.db2.gz IAKDOVRRKRNABK-AWEZNQCLSA-N 2 2 278.400 1.367 20 70 CDIDLP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159791569 364265204 /nfs/dbraw/zinc/26/52/04/364265204.db2.gz IAKDOVRRKRNABK-AWEZNQCLSA-N 2 2 278.400 1.367 20 70 CDIDLP C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000161160439 367352591 /nfs/dbraw/zinc/35/25/91/367352591.db2.gz HBJYTSYHPKSTFD-ZDUSSCGKSA-N 2 2 272.352 1.087 20 70 CDIDLP CC(=O)NC1CCC([NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC000161290438 278088503 /nfs/dbraw/zinc/08/85/03/278088503.db2.gz AHIXCYZQXCHBSP-UHFFFAOYSA-N 2 2 281.444 1.755 20 70 CDIDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160400262 521848195 /nfs/dbraw/zinc/84/81/95/521848195.db2.gz QDMDVDNJBTYVSC-ZDUSSCGKSA-N 2 2 258.369 1.718 20 70 CDIDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160400262 521848207 /nfs/dbraw/zinc/84/82/07/521848207.db2.gz QDMDVDNJBTYVSC-ZDUSSCGKSA-N 2 2 258.369 1.718 20 70 CDIDLP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159858749 364275112 /nfs/dbraw/zinc/27/51/12/364275112.db2.gz VYTSCJNALNLEPP-CYBMUJFWSA-N 2 2 294.399 1.872 20 70 CDIDLP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000159858749 364275115 /nfs/dbraw/zinc/27/51/15/364275115.db2.gz VYTSCJNALNLEPP-CYBMUJFWSA-N 2 2 294.399 1.872 20 70 CDIDLP C(CN1CCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000161285916 391586675 /nfs/dbraw/zinc/58/66/75/391586675.db2.gz MMNZWLGSDKTBQE-QGZVFWFLSA-N 2 2 295.471 1.659 20 70 CDIDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000217557268 140162634 /nfs/dbraw/zinc/16/26/34/140162634.db2.gz QGIRUMSVNSNRQT-DMRZNYOFSA-N 3 2 265.445 1.979 20 70 CDIDLP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217550123 140163460 /nfs/dbraw/zinc/16/34/60/140163460.db2.gz ZNDAGBGZKZJQSQ-KBPBESRZSA-N 2 2 287.407 1.635 20 70 CDIDLP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217550123 140163461 /nfs/dbraw/zinc/16/34/61/140163461.db2.gz ZNDAGBGZKZJQSQ-KBPBESRZSA-N 2 2 287.407 1.635 20 70 CDIDLP CC(C)C(=O)NC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000159791694 364265353 /nfs/dbraw/zinc/26/53/53/364265353.db2.gz IAKDOVRRKRNABK-CQSZACIVSA-N 2 2 278.400 1.367 20 70 CDIDLP CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159791694 364265354 /nfs/dbraw/zinc/26/53/54/364265354.db2.gz IAKDOVRRKRNABK-CQSZACIVSA-N 2 2 278.400 1.367 20 70 CDIDLP CC[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000161146457 377158797 /nfs/dbraw/zinc/15/87/97/377158797.db2.gz LXXFKHWXPDACAJ-CYBMUJFWSA-N 2 2 278.400 1.292 20 70 CDIDLP CC[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000161146457 377158800 /nfs/dbraw/zinc/15/88/00/377158800.db2.gz LXXFKHWXPDACAJ-CYBMUJFWSA-N 2 2 278.400 1.292 20 70 CDIDLP CC(C)(O)C[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000159673772 361772324 /nfs/dbraw/zinc/77/23/24/361772324.db2.gz JFWLANJBDVFWJZ-UHFFFAOYSA-N 2 2 288.395 1.223 20 70 CDIDLP CCC(CC)(C[NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000161261988 362363212 /nfs/dbraw/zinc/36/32/12/362363212.db2.gz AZZWOMLNFDUVNR-UHFFFAOYSA-N 2 2 274.368 1.716 20 70 CDIDLP CCNC(=O)C[N@H+](CC)CCC[NH+]1CCCCC1 ZINC000161233057 521736623 /nfs/dbraw/zinc/73/66/23/521736623.db2.gz DNONSNBKWBKFBK-UHFFFAOYSA-N 2 2 255.406 1.320 20 70 CDIDLP CCNC(=O)C[N@@H+](CC)CCC[NH+]1CCCCC1 ZINC000161233057 521736624 /nfs/dbraw/zinc/73/66/24/521736624.db2.gz DNONSNBKWBKFBK-UHFFFAOYSA-N 2 2 255.406 1.320 20 70 CDIDLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000161117354 525670523 /nfs/dbraw/zinc/67/05/23/525670523.db2.gz MSTSPPOKQKZFGM-AWEZNQCLSA-N 2 2 261.369 1.691 20 70 CDIDLP [NH3+]C[C@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000160360700 361804198 /nfs/dbraw/zinc/80/41/98/361804198.db2.gz ATPVFNAJPKEPPJ-CQSZACIVSA-N 2 2 270.336 1.436 20 70 CDIDLP CCc1nnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]1 ZINC000160195362 362051183 /nfs/dbraw/zinc/05/11/83/362051183.db2.gz DDCTWUWGYMUXRB-UHFFFAOYSA-N 2 2 279.432 1.921 20 70 CDIDLP Cc1[nH+]c2ccccn2c1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000160118214 363675869 /nfs/dbraw/zinc/67/58/69/363675869.db2.gz RNIBBYRLXPZEIL-CQSZACIVSA-N 2 2 288.395 1.405 20 70 CDIDLP CCOC(=O)N[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000159747156 364260589 /nfs/dbraw/zinc/26/05/89/364260589.db2.gz WPYNJNWVLNLTPO-LBPRGKRZSA-N 2 2 266.345 1.094 20 70 CDIDLP CCOC(=O)N[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159747156 364260592 /nfs/dbraw/zinc/26/05/92/364260592.db2.gz WPYNJNWVLNLTPO-LBPRGKRZSA-N 2 2 266.345 1.094 20 70 CDIDLP CC[C@@H](C)[N@@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000217744852 140164532 /nfs/dbraw/zinc/16/45/32/140164532.db2.gz QBRFEOVHIGMQPH-GFCCVEGCSA-N 2 2 267.421 1.306 20 70 CDIDLP CC[C@@H](C)[N@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000217744852 140164531 /nfs/dbraw/zinc/16/45/31/140164531.db2.gz QBRFEOVHIGMQPH-GFCCVEGCSA-N 2 2 267.421 1.306 20 70 CDIDLP CC[NH+]1CCC([N@H+](C)CC[C@H]2CCC[NH+]2C)CC1 ZINC000161350692 521562074 /nfs/dbraw/zinc/56/20/74/521562074.db2.gz CDGNQMAXACEBNC-CQSZACIVSA-N 3 2 253.434 1.887 20 70 CDIDLP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CCC[NH+]2C)CC1 ZINC000161350692 521562083 /nfs/dbraw/zinc/56/20/83/521562083.db2.gz CDGNQMAXACEBNC-CQSZACIVSA-N 3 2 253.434 1.887 20 70 CDIDLP CC[NH+]1CCC([NH+](C)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161350692 521562089 /nfs/dbraw/zinc/56/20/89/521562089.db2.gz CDGNQMAXACEBNC-CQSZACIVSA-N 3 2 253.434 1.887 20 70 CDIDLP CC[NH+]1CCC([NH+](C)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161350692 521562092 /nfs/dbraw/zinc/56/20/92/521562092.db2.gz CDGNQMAXACEBNC-CQSZACIVSA-N 3 2 253.434 1.887 20 70 CDIDLP CC[NH+](CC)CCN(CCOC)c1cc(C)[nH+]cn1 ZINC000160429431 292786922 /nfs/dbraw/zinc/78/69/22/292786922.db2.gz UBIOYJQKIFNDEJ-UHFFFAOYSA-N 2 2 266.389 1.580 20 70 CDIDLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000161117488 525671404 /nfs/dbraw/zinc/67/14/04/525671404.db2.gz MSTSPPOKQKZFGM-CQSZACIVSA-N 2 2 261.369 1.691 20 70 CDIDLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161380287 539117590 /nfs/dbraw/zinc/11/75/90/539117590.db2.gz JHGKCKIFUPTDJY-CQSZACIVSA-N 2 2 290.411 1.364 20 70 CDIDLP COC(=O)CC[N@H+](CCn1cc[nH+]c1)CC(C)C ZINC000159784984 364265433 /nfs/dbraw/zinc/26/54/33/364265433.db2.gz ZSOQRWMAFXGSHK-UHFFFAOYSA-N 2 2 253.346 1.404 20 70 CDIDLP COC(=O)CC[N@@H+](CCn1cc[nH+]c1)CC(C)C ZINC000159784984 364265436 /nfs/dbraw/zinc/26/54/36/364265436.db2.gz ZSOQRWMAFXGSHK-UHFFFAOYSA-N 2 2 253.346 1.404 20 70 CDIDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159992779 342072932 /nfs/dbraw/zinc/07/29/32/342072932.db2.gz DRJGRJXKAXCTBZ-ZYHUDNBSSA-N 2 2 278.352 1.736 20 70 CDIDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159992779 342072933 /nfs/dbraw/zinc/07/29/33/342072933.db2.gz DRJGRJXKAXCTBZ-ZYHUDNBSSA-N 2 2 278.352 1.736 20 70 CDIDLP CC(C)(C)CC[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000159770170 363290268 /nfs/dbraw/zinc/29/02/68/363290268.db2.gz AHOLNMVODPHAFP-UHFFFAOYSA-N 2 2 264.417 1.937 20 70 CDIDLP C[NH+](C)[C@H]1CCCN(Cc2c[nH+]c3ccccn23)C1 ZINC000160335993 363822520 /nfs/dbraw/zinc/82/25/20/363822520.db2.gz STXGMZYGWUFZHS-ZDUSSCGKSA-N 2 2 258.369 1.860 20 70 CDIDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161066249 288076910 /nfs/dbraw/zinc/07/69/10/288076910.db2.gz KYKAZMVWDZQPJH-KBXIAJHMSA-N 3 2 253.434 1.789 20 70 CDIDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161066249 288076915 /nfs/dbraw/zinc/07/69/15/288076915.db2.gz KYKAZMVWDZQPJH-KBXIAJHMSA-N 3 2 253.434 1.789 20 70 CDIDLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)C1CC1 ZINC000161311652 369845243 /nfs/dbraw/zinc/84/52/43/369845243.db2.gz DTILDFHXBICGRB-VXGBXAGGSA-N 2 2 276.384 1.044 20 70 CDIDLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)C1CC1 ZINC000161311652 369845248 /nfs/dbraw/zinc/84/52/48/369845248.db2.gz DTILDFHXBICGRB-VXGBXAGGSA-N 2 2 276.384 1.044 20 70 CDIDLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000159885453 482755151 /nfs/dbraw/zinc/75/51/51/482755151.db2.gz QBWSMPIBQLLKNK-AEJSXWLSSA-N 2 2 281.322 1.113 20 70 CDIDLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000159885453 482755155 /nfs/dbraw/zinc/75/51/55/482755155.db2.gz QBWSMPIBQLLKNK-AEJSXWLSSA-N 2 2 281.322 1.113 20 70 CDIDLP [NH3+][C@H]1CCC[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000160992466 482849851 /nfs/dbraw/zinc/84/98/51/482849851.db2.gz XXRAGWGCCFBMGG-RYUDHWBXSA-N 2 2 272.352 1.263 20 70 CDIDLP O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161357186 527492863 /nfs/dbraw/zinc/49/28/63/527492863.db2.gz DXFYEAZWUVALCU-OAHLLOKOSA-N 2 2 279.428 1.605 20 70 CDIDLP O=C(NC1CC1)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161357186 527492866 /nfs/dbraw/zinc/49/28/66/527492866.db2.gz DXFYEAZWUVALCU-OAHLLOKOSA-N 2 2 279.428 1.605 20 70 CDIDLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000217540956 392960563 /nfs/dbraw/zinc/96/05/63/392960563.db2.gz CJCHLIRWKNEOPE-MJBXVCDLSA-N 2 2 267.417 1.162 20 70 CDIDLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000217540956 392960570 /nfs/dbraw/zinc/96/05/70/392960570.db2.gz CJCHLIRWKNEOPE-MJBXVCDLSA-N 2 2 267.417 1.162 20 70 CDIDLP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000160320796 276167224 /nfs/dbraw/zinc/16/72/24/276167224.db2.gz MKCURJCXDDCPHL-CHWSQXEVSA-N 2 2 276.384 1.046 20 70 CDIDLP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000160320796 276167225 /nfs/dbraw/zinc/16/72/25/276167225.db2.gz MKCURJCXDDCPHL-CHWSQXEVSA-N 2 2 276.384 1.046 20 70 CDIDLP CC[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000161073067 523494887 /nfs/dbraw/zinc/49/48/87/523494887.db2.gz SMLFKQILTCNJQI-CABCVRRESA-N 2 2 270.417 1.192 20 70 CDIDLP CC[C@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000161073067 523494900 /nfs/dbraw/zinc/49/49/00/523494900.db2.gz SMLFKQILTCNJQI-CABCVRRESA-N 2 2 270.417 1.192 20 70 CDIDLP CCCCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161309314 539117547 /nfs/dbraw/zinc/11/75/47/539117547.db2.gz DYIQWUFJIDDIAS-UHFFFAOYSA-N 2 2 276.384 1.120 20 70 CDIDLP c1cn(CCN2CC[NH+](CCc3ccccc3)CC2)c[nH+]1 ZINC000159707816 364254925 /nfs/dbraw/zinc/25/49/25/364254925.db2.gz UFQRABKPIYZUAV-UHFFFAOYSA-N 2 2 284.407 1.743 20 70 CDIDLP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553976 140162862 /nfs/dbraw/zinc/16/28/62/140162862.db2.gz OMVGBAYXKUWMKG-OLZOCXBDSA-N 2 2 261.369 1.684 20 70 CDIDLP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553976 140162864 /nfs/dbraw/zinc/16/28/64/140162864.db2.gz OMVGBAYXKUWMKG-OLZOCXBDSA-N 2 2 261.369 1.684 20 70 CDIDLP Cc1ccc2[nH+]c(CN(C)[C@@H](C[NH3+])C3CC3)cn2c1 ZINC000160005972 281153568 /nfs/dbraw/zinc/15/35/68/281153568.db2.gz DPKGUGURCSFUTB-AWEZNQCLSA-N 2 2 258.369 1.812 20 70 CDIDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181872 364460682 /nfs/dbraw/zinc/46/06/82/364460682.db2.gz DXWXLQZQXXNTMS-YCPHGPKFSA-N 2 2 289.423 1.764 20 70 CDIDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181872 364460688 /nfs/dbraw/zinc/46/06/88/364460688.db2.gz DXWXLQZQXXNTMS-YCPHGPKFSA-N 2 2 289.423 1.764 20 70 CDIDLP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161357313 527490242 /nfs/dbraw/zinc/49/02/42/527490242.db2.gz DXFYEAZWUVALCU-HNNXBMFYSA-N 2 2 279.428 1.605 20 70 CDIDLP O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161357313 527490249 /nfs/dbraw/zinc/49/02/49/527490249.db2.gz DXFYEAZWUVALCU-HNNXBMFYSA-N 2 2 279.428 1.605 20 70 CDIDLP [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000160254489 364326065 /nfs/dbraw/zinc/32/60/65/364326065.db2.gz VWHMMSKQXHZBNP-AWEZNQCLSA-N 2 2 270.336 1.436 20 70 CDIDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181746 364461507 /nfs/dbraw/zinc/46/15/07/364461507.db2.gz DXWXLQZQXXNTMS-OFQRWUPVSA-N 2 2 289.423 1.764 20 70 CDIDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181746 364461510 /nfs/dbraw/zinc/46/15/10/364461510.db2.gz DXWXLQZQXXNTMS-OFQRWUPVSA-N 2 2 289.423 1.764 20 70 CDIDLP C(CN1CC[C@H]([NH+]2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161268874 275393450 /nfs/dbraw/zinc/39/34/50/275393450.db2.gz ZJKKKXGQACXTBV-INIZCTEOSA-N 2 2 281.444 1.269 20 70 CDIDLP [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000160992316 482850235 /nfs/dbraw/zinc/85/02/35/482850235.db2.gz XXRAGWGCCFBMGG-NWDGAFQWSA-N 2 2 272.352 1.263 20 70 CDIDLP COc1cccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000160995145 525950151 /nfs/dbraw/zinc/95/01/51/525950151.db2.gz LDARQRUYMVNIQT-UKRRQHHQSA-N 2 2 264.369 1.633 20 70 CDIDLP COc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000160995145 525950158 /nfs/dbraw/zinc/95/01/58/525950158.db2.gz LDARQRUYMVNIQT-UKRRQHHQSA-N 2 2 264.369 1.633 20 70 CDIDLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000161012660 291147754 /nfs/dbraw/zinc/14/77/54/291147754.db2.gz UNIWPVISNJPTHU-YJNKXOJESA-N 3 2 253.434 1.932 20 70 CDIDLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000161012660 291147756 /nfs/dbraw/zinc/14/77/56/291147756.db2.gz UNIWPVISNJPTHU-YJNKXOJESA-N 3 2 253.434 1.932 20 70 CDIDLP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000160320691 361423209 /nfs/dbraw/zinc/42/32/09/361423209.db2.gz MKCURJCXDDCPHL-OLZOCXBDSA-N 2 2 276.384 1.046 20 70 CDIDLP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000160320691 361423211 /nfs/dbraw/zinc/42/32/11/361423211.db2.gz MKCURJCXDDCPHL-OLZOCXBDSA-N 2 2 276.384 1.046 20 70 CDIDLP CCc1nsc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000159859040 364274980 /nfs/dbraw/zinc/27/49/80/364274980.db2.gz CPGIXLIHXHRDPK-UHFFFAOYSA-N 2 2 292.412 1.119 20 70 CDIDLP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387308 391590853 /nfs/dbraw/zinc/59/08/53/391590853.db2.gz XLVYWVSLQDYAOA-UONOGXRCSA-N 2 2 288.457 1.370 20 70 CDIDLP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387308 391590860 /nfs/dbraw/zinc/59/08/60/391590860.db2.gz XLVYWVSLQDYAOA-UONOGXRCSA-N 2 2 288.457 1.370 20 70 CDIDLP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387308 391590865 /nfs/dbraw/zinc/59/08/65/391590865.db2.gz XLVYWVSLQDYAOA-UONOGXRCSA-N 2 2 288.457 1.370 20 70 CDIDLP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387308 391590868 /nfs/dbraw/zinc/59/08/68/391590868.db2.gz XLVYWVSLQDYAOA-UONOGXRCSA-N 2 2 288.457 1.370 20 70 CDIDLP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217541340 631436081 /nfs/dbraw/zinc/43/60/81/631436081.db2.gz PHXYPIMXBBDSEZ-KGLIPLIRSA-N 2 2 269.433 1.742 20 70 CDIDLP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217541340 631436085 /nfs/dbraw/zinc/43/60/85/631436085.db2.gz PHXYPIMXBBDSEZ-KGLIPLIRSA-N 2 2 269.433 1.742 20 70 CDIDLP c1csc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000159722752 292766805 /nfs/dbraw/zinc/76/68/05/292766805.db2.gz KLWBYODYPJBOHE-UHFFFAOYSA-N 2 2 263.370 1.162 20 70 CDIDLP C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000160764852 522393718 /nfs/dbraw/zinc/39/37/18/522393718.db2.gz SEROCTZQGQFGHM-CYBMUJFWSA-N 2 2 270.336 1.306 20 70 CDIDLP C[NH+]1CCC([N@H+](CCO)Cc2cnc3ccccn23)CC1 ZINC000160141853 539115421 /nfs/dbraw/zinc/11/54/21/539115421.db2.gz GOQVRBFVHCJNES-UHFFFAOYSA-N 2 2 288.395 1.223 20 70 CDIDLP C[NH+]1CCC([N@@H+](CCO)Cc2cnc3ccccn23)CC1 ZINC000160141853 539115422 /nfs/dbraw/zinc/11/54/22/539115422.db2.gz GOQVRBFVHCJNES-UHFFFAOYSA-N 2 2 288.395 1.223 20 70 CDIDLP CCCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161383425 539117652 /nfs/dbraw/zinc/11/76/52/539117652.db2.gz WHXBINWZGYXAIN-ZDUSSCGKSA-N 2 2 276.384 1.118 20 70 CDIDLP Cn1nc2c(cc1=O)C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000161396213 364487535 /nfs/dbraw/zinc/48/75/35/364487535.db2.gz HLFAFWACKTXWHV-UHFFFAOYSA-N 2 2 290.411 1.014 20 70 CDIDLP Cn1nc2c(cc1=O)C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000161396213 364487540 /nfs/dbraw/zinc/48/75/40/364487540.db2.gz HLFAFWACKTXWHV-UHFFFAOYSA-N 2 2 290.411 1.014 20 70 CDIDLP NC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000218133781 367261416 /nfs/dbraw/zinc/26/14/16/367261416.db2.gz DGEFQOPCQMDJBT-GJZGRUSLSA-N 2 2 273.380 1.502 20 70 CDIDLP NC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000218133781 367261423 /nfs/dbraw/zinc/26/14/23/367261423.db2.gz DGEFQOPCQMDJBT-GJZGRUSLSA-N 2 2 273.380 1.502 20 70 CDIDLP CCSCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159420492 276394843 /nfs/dbraw/zinc/39/48/43/276394843.db2.gz ZTBOUDPLHQTJMG-CYBMUJFWSA-N 2 2 285.457 1.154 20 70 CDIDLP CCSCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159420492 276394844 /nfs/dbraw/zinc/39/48/44/276394844.db2.gz ZTBOUDPLHQTJMG-CYBMUJFWSA-N 2 2 285.457 1.154 20 70 CDIDLP C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000161354491 529990388 /nfs/dbraw/zinc/99/03/88/529990388.db2.gz XURRHQXDWRFESK-HNNXBMFYSA-N 2 2 284.363 1.696 20 70 CDIDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCC2CCCC2)CC1 ZINC000159402455 361687840 /nfs/dbraw/zinc/68/78/40/361687840.db2.gz QBXCTSXVSOXXKH-INIZCTEOSA-N 2 2 293.455 1.981 20 70 CDIDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCC2CCCC2)CC1 ZINC000159402455 361687842 /nfs/dbraw/zinc/68/78/42/361687842.db2.gz QBXCTSXVSOXXKH-INIZCTEOSA-N 2 2 293.455 1.981 20 70 CDIDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181980 364460636 /nfs/dbraw/zinc/46/06/36/364460636.db2.gz DXWXLQZQXXNTMS-DZKIICNBSA-N 2 2 289.423 1.764 20 70 CDIDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181980 364460642 /nfs/dbraw/zinc/46/06/42/364460642.db2.gz DXWXLQZQXXNTMS-DZKIICNBSA-N 2 2 289.423 1.764 20 70 CDIDLP c1cn(CCN2CCC[C@H]2C[NH+]2CCCCC2)c[nH+]1 ZINC000159802830 361863880 /nfs/dbraw/zinc/86/38/80/361863880.db2.gz HUMQYEVPURETCD-HNNXBMFYSA-N 2 2 262.401 1.833 20 70 CDIDLP CCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159410965 390939885 /nfs/dbraw/zinc/93/98/85/390939885.db2.gz GCBXQDFZWJEEGV-AWEZNQCLSA-N 2 2 267.417 1.591 20 70 CDIDLP CCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159410965 390939886 /nfs/dbraw/zinc/93/98/86/390939886.db2.gz GCBXQDFZWJEEGV-AWEZNQCLSA-N 2 2 267.417 1.591 20 70 CDIDLP C([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1C[NH2+]CCO1 ZINC000216737594 342439419 /nfs/dbraw/zinc/43/94/19/342439419.db2.gz KGMCYQLHWDCBNQ-BPHCLYMKSA-N 2 2 250.386 1.389 20 70 CDIDLP CNC(=O)[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161420523 283388027 /nfs/dbraw/zinc/38/80/27/283388027.db2.gz MWXWGAAGIKFVEU-AWEZNQCLSA-N 2 2 267.417 1.463 20 70 CDIDLP CNC(=O)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161420523 283388033 /nfs/dbraw/zinc/38/80/33/283388033.db2.gz MWXWGAAGIKFVEU-AWEZNQCLSA-N 2 2 267.417 1.463 20 70 CDIDLP O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159820637 364270229 /nfs/dbraw/zinc/27/02/29/364270229.db2.gz DFTYISYAJRSNHG-AWEZNQCLSA-N 2 2 288.351 1.257 20 70 CDIDLP O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000159820637 364270231 /nfs/dbraw/zinc/27/02/31/364270231.db2.gz DFTYISYAJRSNHG-AWEZNQCLSA-N 2 2 288.351 1.257 20 70 CDIDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000160648789 525021103 /nfs/dbraw/zinc/02/11/03/525021103.db2.gz FKDYBLQIMGLHRC-HIFRSBDPSA-N 2 2 277.412 1.653 20 70 CDIDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000160648789 525021116 /nfs/dbraw/zinc/02/11/16/525021116.db2.gz FKDYBLQIMGLHRC-HIFRSBDPSA-N 2 2 277.412 1.653 20 70 CDIDLP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000159630918 363085995 /nfs/dbraw/zinc/08/59/95/363085995.db2.gz RZZGPWBJFXMQSL-UHFFFAOYSA-N 2 2 264.417 1.729 20 70 CDIDLP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217554060 140163678 /nfs/dbraw/zinc/16/36/78/140163678.db2.gz OMVGBAYXKUWMKG-STQMWFEESA-N 2 2 261.369 1.684 20 70 CDIDLP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217554060 140163676 /nfs/dbraw/zinc/16/36/76/140163676.db2.gz OMVGBAYXKUWMKG-STQMWFEESA-N 2 2 261.369 1.684 20 70 CDIDLP CC(=O)NC1CCC([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000161289429 278088519 /nfs/dbraw/zinc/08/85/19/278088519.db2.gz OYPJFUPSCCBWGL-IUDNXUCKSA-N 2 2 281.444 1.755 20 70 CDIDLP CC(=O)NC1CCC([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000161289429 278088520 /nfs/dbraw/zinc/08/85/20/278088520.db2.gz OYPJFUPSCCBWGL-IUDNXUCKSA-N 2 2 281.444 1.755 20 70 CDIDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc2c1OCO2 ZINC000159990099 362385152 /nfs/dbraw/zinc/38/51/52/362385152.db2.gz FISRJGBQLOWFCW-JQWIXIFHSA-N 2 2 278.352 1.593 20 70 CDIDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc2c1OCO2 ZINC000159990099 362385158 /nfs/dbraw/zinc/38/51/58/362385158.db2.gz FISRJGBQLOWFCW-JQWIXIFHSA-N 2 2 278.352 1.593 20 70 CDIDLP [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000160992579 482849678 /nfs/dbraw/zinc/84/96/78/482849678.db2.gz XXRAGWGCCFBMGG-VXGBXAGGSA-N 2 2 272.352 1.263 20 70 CDIDLP C[C@H](CNCc1c[nH+]c(N(C)C)n1C)[N@H+](C)C1CC1 ZINC000217533953 140163256 /nfs/dbraw/zinc/16/32/56/140163256.db2.gz XPBDCZMAZCIWIA-LLVKDONJSA-N 2 2 265.405 1.058 20 70 CDIDLP C[C@H](CNCc1c[nH+]c(N(C)C)n1C)[N@@H+](C)C1CC1 ZINC000217533953 140163257 /nfs/dbraw/zinc/16/32/57/140163257.db2.gz XPBDCZMAZCIWIA-LLVKDONJSA-N 2 2 265.405 1.058 20 70 CDIDLP Cn1cc(C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cn1 ZINC000159865937 361887868 /nfs/dbraw/zinc/88/78/68/361887868.db2.gz FBUPPJPFZICZAS-ZDUSSCGKSA-N 2 2 259.357 1.181 20 70 CDIDLP Cn1cc(C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cn1 ZINC000159865937 361887875 /nfs/dbraw/zinc/88/78/75/361887875.db2.gz FBUPPJPFZICZAS-ZDUSSCGKSA-N 2 2 259.357 1.181 20 70 CDIDLP CC[NH+](CC)CCN(CCOC)c1cc[nH+]c(C)n1 ZINC000160430755 364352632 /nfs/dbraw/zinc/35/26/32/364352632.db2.gz BALJNFACQJFEIM-UHFFFAOYSA-N 2 2 266.389 1.580 20 70 CDIDLP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161325611 539117528 /nfs/dbraw/zinc/11/75/28/539117528.db2.gz VFAKDAJILRFXNB-AWEZNQCLSA-N 2 2 290.411 1.364 20 70 CDIDLP C[N@H+](CCn1cc[nH+]c1)C[C@@H](O)COCc1ccccc1 ZINC000159818435 364270262 /nfs/dbraw/zinc/27/02/62/364270262.db2.gz HNIYUSBGVFZGES-MRXNPFEDSA-N 2 2 289.379 1.393 20 70 CDIDLP C[N@@H+](CCn1cc[nH+]c1)C[C@@H](O)COCc1ccccc1 ZINC000159818435 364270263 /nfs/dbraw/zinc/27/02/63/364270263.db2.gz HNIYUSBGVFZGES-MRXNPFEDSA-N 2 2 289.379 1.393 20 70 CDIDLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)C1CC1 ZINC000161311876 369834656 /nfs/dbraw/zinc/83/46/56/369834656.db2.gz DTILDFHXBICGRB-NEPJUHHUSA-N 2 2 276.384 1.044 20 70 CDIDLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)C1CC1 ZINC000161311876 369834658 /nfs/dbraw/zinc/83/46/58/369834658.db2.gz DTILDFHXBICGRB-NEPJUHHUSA-N 2 2 276.384 1.044 20 70 CDIDLP CO[C@@H]1CC[N@H+](CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000161195692 523683971 /nfs/dbraw/zinc/68/39/71/523683971.db2.gz WJBWEPGRKHWUSC-DZGCQCFKSA-N 2 2 264.369 1.504 20 70 CDIDLP CO[C@@H]1CC[N@@H+](CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000161195692 523683977 /nfs/dbraw/zinc/68/39/77/523683977.db2.gz WJBWEPGRKHWUSC-DZGCQCFKSA-N 2 2 264.369 1.504 20 70 CDIDLP [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000161435884 373733699 /nfs/dbraw/zinc/73/36/99/373733699.db2.gz OTPMJWLMDNKGJW-ZIAGYGMSSA-N 2 2 284.363 1.872 20 70 CDIDLP C[NH2+]CC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000161258704 362259912 /nfs/dbraw/zinc/25/99/12/362259912.db2.gz BEOQRXZCRQXJED-UHFFFAOYSA-N 2 2 273.174 1.767 20 70 CDIDLP CC(=O)NC1CCC([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000161274895 278088706 /nfs/dbraw/zinc/08/87/06/278088706.db2.gz ASOZSCNGBIVXMC-JEYLPNPQSA-N 2 2 281.444 1.898 20 70 CDIDLP C[NH+](C)CCC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000159770605 237159217 /nfs/dbraw/zinc/15/92/17/237159217.db2.gz DKFNVRAOQMNTRY-UHFFFAOYSA-N 3 2 250.390 1.547 20 70 CDIDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc2c1OCO2 ZINC000159989991 362384521 /nfs/dbraw/zinc/38/45/21/362384521.db2.gz FISRJGBQLOWFCW-PWSUYJOCSA-N 2 2 278.352 1.593 20 70 CDIDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc2c1OCO2 ZINC000159989991 362384526 /nfs/dbraw/zinc/38/45/26/362384526.db2.gz FISRJGBQLOWFCW-PWSUYJOCSA-N 2 2 278.352 1.593 20 70 CDIDLP CO[C@@H]1CC[N@H+](CCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000161201679 362622280 /nfs/dbraw/zinc/62/22/80/362622280.db2.gz CBFYNTMFMXGEEC-WDEREUQCSA-N 2 2 284.322 1.394 20 70 CDIDLP CO[C@@H]1CC[N@@H+](CCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000161201679 362622288 /nfs/dbraw/zinc/62/22/88/362622288.db2.gz CBFYNTMFMXGEEC-WDEREUQCSA-N 2 2 284.322 1.394 20 70 CDIDLP CCSCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000160580460 364043299 /nfs/dbraw/zinc/04/32/99/364043299.db2.gz YBDCKFCUOCJNDX-UHFFFAOYSA-N 2 2 287.473 1.226 20 70 CDIDLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217543752 373715438 /nfs/dbraw/zinc/71/54/38/373715438.db2.gz GOARFNZJNPDSKM-GJZGRUSLSA-N 2 2 283.460 1.988 20 70 CDIDLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217543752 373715445 /nfs/dbraw/zinc/71/54/45/373715445.db2.gz GOARFNZJNPDSKM-GJZGRUSLSA-N 2 2 283.460 1.988 20 70 CDIDLP Cc1ccc2[nH+]c(CN(C)[C@H](C[NH3+])C3CC3)cn2c1 ZINC000160006101 281153614 /nfs/dbraw/zinc/15/36/14/281153614.db2.gz DPKGUGURCSFUTB-CQSZACIVSA-N 2 2 258.369 1.812 20 70 CDIDLP CC1CC[NH+](CCSCC[NH+]2CCOCC2)CC1 ZINC000160002237 363577428 /nfs/dbraw/zinc/57/74/28/363577428.db2.gz CDXMNFVBMJGVHM-UHFFFAOYSA-N 2 2 272.458 1.784 20 70 CDIDLP CCOC(=O)N[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000159747014 364260802 /nfs/dbraw/zinc/26/08/02/364260802.db2.gz WPYNJNWVLNLTPO-GFCCVEGCSA-N 2 2 266.345 1.094 20 70 CDIDLP CCOC(=O)N[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159747014 364260806 /nfs/dbraw/zinc/26/08/06/364260806.db2.gz WPYNJNWVLNLTPO-GFCCVEGCSA-N 2 2 266.345 1.094 20 70 CDIDLP CCC[N@H+](CC)CCNCc1c[nH+]c(N(C)C)n1C ZINC000217642014 392964002 /nfs/dbraw/zinc/96/40/02/392964002.db2.gz GUOCRMJQEWGJJB-UHFFFAOYSA-N 2 2 267.421 1.308 20 70 CDIDLP CCC[N@@H+](CC)CCNCc1c[nH+]c(N(C)C)n1C ZINC000217642014 392964011 /nfs/dbraw/zinc/96/40/11/392964011.db2.gz GUOCRMJQEWGJJB-UHFFFAOYSA-N 2 2 267.421 1.308 20 70 CDIDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161066319 358786457 /nfs/dbraw/zinc/78/64/57/358786457.db2.gz KYKAZMVWDZQPJH-XGUBFFRZSA-N 3 2 253.434 1.789 20 70 CDIDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161066319 358786462 /nfs/dbraw/zinc/78/64/62/358786462.db2.gz KYKAZMVWDZQPJH-XGUBFFRZSA-N 3 2 253.434 1.789 20 70 CDIDLP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000161364490 539117605 /nfs/dbraw/zinc/11/76/05/539117605.db2.gz MAAMZJYPLSKGKU-UHFFFAOYSA-N 2 2 258.325 1.700 20 70 CDIDLP Cn1cc(C[N@H+](C)CCC[NH+]2CCCCC2)cn1 ZINC000160377121 529887255 /nfs/dbraw/zinc/88/72/55/529887255.db2.gz OWTOVSIRWHSKLM-UHFFFAOYSA-N 2 2 250.390 1.728 20 70 CDIDLP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCCC2)cn1 ZINC000160377121 529887257 /nfs/dbraw/zinc/88/72/57/529887257.db2.gz OWTOVSIRWHSKLM-UHFFFAOYSA-N 2 2 250.390 1.728 20 70 CDIDLP O[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161442613 237199598 /nfs/dbraw/zinc/19/95/98/237199598.db2.gz XWRZBXGJSOAGKU-LBPRGKRZSA-N 2 2 280.334 1.862 20 70 CDIDLP O[C@@]1(C(F)(F)F)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161442613 237199604 /nfs/dbraw/zinc/19/96/04/237199604.db2.gz XWRZBXGJSOAGKU-LBPRGKRZSA-N 2 2 280.334 1.862 20 70 CDIDLP CC[N@H+](CC[NH2+]C1CCC(NC(C)=O)CC1)C1CC1 ZINC000161398609 279205277 /nfs/dbraw/zinc/20/52/77/279205277.db2.gz NCGRHLPVMGKFOV-UHFFFAOYSA-N 2 2 267.417 1.508 20 70 CDIDLP CC[N@@H+](CC[NH2+]C1CCC(NC(C)=O)CC1)C1CC1 ZINC000161398609 279205281 /nfs/dbraw/zinc/20/52/81/279205281.db2.gz NCGRHLPVMGKFOV-UHFFFAOYSA-N 2 2 267.417 1.508 20 70 CDIDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cscn1 ZINC000161459577 522751680 /nfs/dbraw/zinc/75/16/80/522751680.db2.gz BDIDDPJANZKVFF-UHFFFAOYSA-N 2 2 268.430 1.212 20 70 CDIDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cscn1 ZINC000161459577 522751686 /nfs/dbraw/zinc/75/16/86/522751686.db2.gz BDIDDPJANZKVFF-UHFFFAOYSA-N 2 2 268.430 1.212 20 70 CDIDLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000159891412 289350540 /nfs/dbraw/zinc/35/05/40/289350540.db2.gz JLWIOARQHIGMOT-YTWAJWBKSA-N 2 2 293.333 1.113 20 70 CDIDLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000159891412 289350541 /nfs/dbraw/zinc/35/05/41/289350541.db2.gz JLWIOARQHIGMOT-YTWAJWBKSA-N 2 2 293.333 1.113 20 70 CDIDLP CCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161383319 539117618 /nfs/dbraw/zinc/11/76/18/539117618.db2.gz WHXBINWZGYXAIN-CYBMUJFWSA-N 2 2 276.384 1.118 20 70 CDIDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000161012772 358783262 /nfs/dbraw/zinc/78/32/62/358783262.db2.gz UNIWPVISNJPTHU-KBXIAJHMSA-N 3 2 253.434 1.932 20 70 CDIDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000161012772 358783264 /nfs/dbraw/zinc/78/32/64/358783264.db2.gz UNIWPVISNJPTHU-KBXIAJHMSA-N 3 2 253.434 1.932 20 70 CDIDLP [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000161435758 373731723 /nfs/dbraw/zinc/73/17/23/373731723.db2.gz OTPMJWLMDNKGJW-KBPBESRZSA-N 2 2 284.363 1.872 20 70 CDIDLP C(C[NH+]1CCC([NH+]2CCCC2)CC1)OCC1CC1 ZINC000160591756 527477878 /nfs/dbraw/zinc/47/78/78/527477878.db2.gz HKYJDFCLMJTLCM-UHFFFAOYSA-N 2 2 252.402 1.973 20 70 CDIDLP CCC[N@H+](Cc1cc2c(c(OC)c1)OCO2)[C@@H]1CC[NH2+]C1 ZINC000159981941 362384956 /nfs/dbraw/zinc/38/49/56/362384956.db2.gz XYVQDHAUGHPGJM-CYBMUJFWSA-N 2 2 292.379 1.998 20 70 CDIDLP CCC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)[C@@H]1CC[NH2+]C1 ZINC000159981941 362384963 /nfs/dbraw/zinc/38/49/63/362384963.db2.gz XYVQDHAUGHPGJM-CYBMUJFWSA-N 2 2 292.379 1.998 20 70 CDIDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160939882 362562598 /nfs/dbraw/zinc/56/25/98/362562598.db2.gz RWVJTGCLSJWTFN-CQSZACIVSA-N 2 2 285.794 1.815 20 70 CDIDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160939882 362562602 /nfs/dbraw/zinc/56/26/02/362562602.db2.gz RWVJTGCLSJWTFN-CQSZACIVSA-N 2 2 285.794 1.815 20 70 CDIDLP Cc1noc([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)n1 ZINC000159773434 364264352 /nfs/dbraw/zinc/26/43/52/364264352.db2.gz XKVUMWBHQJKEER-GFCCVEGCSA-N 2 2 261.329 1.454 20 70 CDIDLP Cc1noc([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)n1 ZINC000159773434 364264359 /nfs/dbraw/zinc/26/43/59/364264359.db2.gz XKVUMWBHQJKEER-GFCCVEGCSA-N 2 2 261.329 1.454 20 70 CDIDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCC2CCCC2)CC1 ZINC000159402296 361687902 /nfs/dbraw/zinc/68/79/02/361687902.db2.gz QBXCTSXVSOXXKH-MRXNPFEDSA-N 2 2 293.455 1.981 20 70 CDIDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCC2CCCC2)CC1 ZINC000159402296 361687905 /nfs/dbraw/zinc/68/79/05/361687905.db2.gz QBXCTSXVSOXXKH-MRXNPFEDSA-N 2 2 293.455 1.981 20 70 CDIDLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217543666 373715642 /nfs/dbraw/zinc/71/56/42/373715642.db2.gz GOARFNZJNPDSKM-CABCVRRESA-N 2 2 283.460 1.988 20 70 CDIDLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217543666 373715651 /nfs/dbraw/zinc/71/56/51/373715651.db2.gz GOARFNZJNPDSKM-CABCVRRESA-N 2 2 283.460 1.988 20 70 CDIDLP C(CN1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000161286004 391586353 /nfs/dbraw/zinc/58/63/53/391586353.db2.gz MMNZWLGSDKTBQE-KRWDZBQOSA-N 2 2 295.471 1.659 20 70 CDIDLP CCC[N@H+](Cc1cc2c(c(OC)c1)OCO2)[C@H]1CC[NH2+]C1 ZINC000159982054 392494251 /nfs/dbraw/zinc/49/42/51/392494251.db2.gz XYVQDHAUGHPGJM-ZDUSSCGKSA-N 2 2 292.379 1.998 20 70 CDIDLP CCC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)[C@H]1CC[NH2+]C1 ZINC000159982054 392494261 /nfs/dbraw/zinc/49/42/61/392494261.db2.gz XYVQDHAUGHPGJM-ZDUSSCGKSA-N 2 2 292.379 1.998 20 70 CDIDLP C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000217848520 140165443 /nfs/dbraw/zinc/16/54/43/140165443.db2.gz VPDZJUYPKQTQRW-GDBMZVCRSA-N 2 2 293.455 1.851 20 70 CDIDLP C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000217848520 140165445 /nfs/dbraw/zinc/16/54/45/140165445.db2.gz VPDZJUYPKQTQRW-GDBMZVCRSA-N 2 2 293.455 1.851 20 70 CDIDLP CO[C@H]1CC[N@H+](CCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000161201797 286058641 /nfs/dbraw/zinc/05/86/41/286058641.db2.gz CBFYNTMFMXGEEC-QWRGUYRKSA-N 2 2 284.322 1.394 20 70 CDIDLP CO[C@H]1CC[N@@H+](CCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000161201797 286058642 /nfs/dbraw/zinc/05/86/42/286058642.db2.gz CBFYNTMFMXGEEC-QWRGUYRKSA-N 2 2 284.322 1.394 20 70 CDIDLP Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H](C[NH3+])C3CC3)nc12 ZINC000160140650 362396197 /nfs/dbraw/zinc/39/61/97/362396197.db2.gz ZXILHWIRUFPDCO-CQSZACIVSA-N 2 2 286.379 1.172 20 70 CDIDLP Cc1cccn2c(=O)cc(C[N@H+](C)[C@H](C[NH3+])C3CC3)nc12 ZINC000160140650 362396204 /nfs/dbraw/zinc/39/62/04/362396204.db2.gz ZXILHWIRUFPDCO-CQSZACIVSA-N 2 2 286.379 1.172 20 70 CDIDLP CC[N@@H+](CCNCc1cn2ccccc2[nH+]1)C1CC1 ZINC000218319677 361213493 /nfs/dbraw/zinc/21/34/93/361213493.db2.gz UJCNXVUKCAZCED-UHFFFAOYSA-N 2 2 258.369 1.908 20 70 CDIDLP C[NH2+][C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000160786806 364408784 /nfs/dbraw/zinc/40/87/84/364408784.db2.gz IHDJKRCDGJNHGR-OAHLLOKOSA-N 2 2 284.363 1.365 20 70 CDIDLP CCn1cnnc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000218222437 367261131 /nfs/dbraw/zinc/26/11/31/367261131.db2.gz YGGYCPIODNGOQE-UHFFFAOYSA-N 2 2 282.351 1.774 20 70 CDIDLP [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000161436010 373734177 /nfs/dbraw/zinc/73/41/77/373734177.db2.gz OTPMJWLMDNKGJW-KGLIPLIRSA-N 2 2 284.363 1.872 20 70 CDIDLP C[NH+](C)C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000160117905 292777878 /nfs/dbraw/zinc/77/78/78/292777878.db2.gz HWOKQVXBBIHSMF-CQSZACIVSA-N 2 2 274.368 1.097 20 70 CDIDLP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000160982245 346993991 /nfs/dbraw/zinc/99/39/91/346993991.db2.gz MRJQCENVGNENOQ-GFCCVEGCSA-N 2 2 264.417 1.729 20 70 CDIDLP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000160982245 346993995 /nfs/dbraw/zinc/99/39/95/346993995.db2.gz MRJQCENVGNENOQ-GFCCVEGCSA-N 2 2 264.417 1.729 20 70 CDIDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000161318709 364477431 /nfs/dbraw/zinc/47/74/31/364477431.db2.gz GBGCWCGWDHNHCR-HNNXBMFYSA-N 2 2 289.423 1.999 20 70 CDIDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000161318709 364477437 /nfs/dbraw/zinc/47/74/37/364477437.db2.gz GBGCWCGWDHNHCR-HNNXBMFYSA-N 2 2 289.423 1.999 20 70 CDIDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159977455 362383472 /nfs/dbraw/zinc/38/34/72/362383472.db2.gz FCPXKXBJMCGIDC-LBPRGKRZSA-N 2 2 292.379 1.855 20 70 CDIDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159977455 362383479 /nfs/dbraw/zinc/38/34/79/362383479.db2.gz FCPXKXBJMCGIDC-LBPRGKRZSA-N 2 2 292.379 1.855 20 70 CDIDLP Cc1csc2nc(C[N@@H+](C)[C@H](C[NH3+])C3CC3)cc(=O)n12 ZINC000159992618 362385103 /nfs/dbraw/zinc/38/51/03/362385103.db2.gz DLCHAEIPLAZYAM-GFCCVEGCSA-N 2 2 292.408 1.234 20 70 CDIDLP Cc1csc2nc(C[N@H+](C)[C@H](C[NH3+])C3CC3)cc(=O)n12 ZINC000159992618 362385111 /nfs/dbraw/zinc/38/51/11/362385111.db2.gz DLCHAEIPLAZYAM-GFCCVEGCSA-N 2 2 292.408 1.234 20 70 CDIDLP COC(=O)c1cc(C[N@H+](C)CCn2cc[nH+]c2)oc1C ZINC000159690708 364253028 /nfs/dbraw/zinc/25/30/28/364253028.db2.gz QBNPXYLQEWEDDB-UHFFFAOYSA-N 2 2 277.324 1.703 20 70 CDIDLP COC(=O)c1cc(C[N@@H+](C)CCn2cc[nH+]c2)oc1C ZINC000159690708 364253033 /nfs/dbraw/zinc/25/30/33/364253033.db2.gz QBNPXYLQEWEDDB-UHFFFAOYSA-N 2 2 277.324 1.703 20 70 CDIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(N)=O ZINC000160067618 364301682 /nfs/dbraw/zinc/30/16/82/364301682.db2.gz GEGRQVKOYRKDHU-CYBMUJFWSA-N 2 2 290.411 1.494 20 70 CDIDLP [NH3+]CCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000160124720 303379297 /nfs/dbraw/zinc/37/92/97/303379297.db2.gz RVONVHRKLHGBFH-CQSZACIVSA-N 2 2 293.436 1.242 20 70 CDIDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159993063 342072958 /nfs/dbraw/zinc/07/29/58/342072958.db2.gz DRJGRJXKAXCTBZ-JQWIXIFHSA-N 2 2 278.352 1.736 20 70 CDIDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159993063 342072959 /nfs/dbraw/zinc/07/29/59/342072959.db2.gz DRJGRJXKAXCTBZ-JQWIXIFHSA-N 2 2 278.352 1.736 20 70 CDIDLP [NH3+]CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000217139074 342439397 /nfs/dbraw/zinc/43/93/97/342439397.db2.gz FAHHWSVUNPJRRE-UHFFFAOYSA-N 2 2 265.332 1.435 20 70 CDIDLP Cn1cc(C[C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cn1 ZINC000159866092 361887961 /nfs/dbraw/zinc/88/79/61/361887961.db2.gz FBUPPJPFZICZAS-CYBMUJFWSA-N 2 2 259.357 1.181 20 70 CDIDLP Cn1cc(C[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cn1 ZINC000159866092 361887964 /nfs/dbraw/zinc/88/79/64/361887964.db2.gz FBUPPJPFZICZAS-CYBMUJFWSA-N 2 2 259.357 1.181 20 70 CDIDLP COc1ccc(OCC[N@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000160028355 362388068 /nfs/dbraw/zinc/38/80/68/362388068.db2.gz DKVJXZNJDWUKAS-OAHLLOKOSA-N 2 2 264.369 1.743 20 70 CDIDLP COc1ccc(OCC[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000160028355 362388072 /nfs/dbraw/zinc/38/80/72/362388072.db2.gz DKVJXZNJDWUKAS-OAHLLOKOSA-N 2 2 264.369 1.743 20 70 CDIDLP COc1ccc(OCC[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000160028226 362388318 /nfs/dbraw/zinc/38/83/18/362388318.db2.gz DKVJXZNJDWUKAS-HNNXBMFYSA-N 2 2 264.369 1.743 20 70 CDIDLP COc1ccc(OCC[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000160028226 362388319 /nfs/dbraw/zinc/38/83/19/362388319.db2.gz DKVJXZNJDWUKAS-HNNXBMFYSA-N 2 2 264.369 1.743 20 70 CDIDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1coc2ccccc12 ZINC000161103566 523890942 /nfs/dbraw/zinc/89/09/42/523890942.db2.gz BOQHVYUCSKMTHY-CQSZACIVSA-N 2 2 273.380 1.768 20 70 CDIDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1coc2ccccc12 ZINC000161103566 523890944 /nfs/dbraw/zinc/89/09/44/523890944.db2.gz BOQHVYUCSKMTHY-CQSZACIVSA-N 2 2 273.380 1.768 20 70 CDIDLP CN(C)c1[nH+]cc(CNCC2([NH+](C)C)CCCC2)n1C ZINC000160669249 362465755 /nfs/dbraw/zinc/46/57/55/362465755.db2.gz BJSBGVTZOMYKKO-UHFFFAOYSA-N 2 2 279.432 1.450 20 70 CDIDLP C[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000161436944 391592451 /nfs/dbraw/zinc/59/24/51/391592451.db2.gz GUSUWDOPUBTEJT-CYBMUJFWSA-N 2 2 290.411 1.436 20 70 CDIDLP C[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000161436944 391592454 /nfs/dbraw/zinc/59/24/54/391592454.db2.gz GUSUWDOPUBTEJT-CYBMUJFWSA-N 2 2 290.411 1.436 20 70 CDIDLP c1cn(CCN2CCC[C@@H]2C[NH+]2CCCCC2)c[nH+]1 ZINC000159802674 361864233 /nfs/dbraw/zinc/86/42/33/361864233.db2.gz HUMQYEVPURETCD-OAHLLOKOSA-N 2 2 262.401 1.833 20 70 CDIDLP FC(F)C(F)(F)CN1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000159828881 237160443 /nfs/dbraw/zinc/16/04/43/237160443.db2.gz FWSWPRMTYQGCQR-UHFFFAOYSA-N 2 2 294.296 1.401 20 70 CDIDLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217540552 140163276 /nfs/dbraw/zinc/16/32/76/140163276.db2.gz NCBLNDIIKWKNBG-KGLIPLIRSA-N 2 2 275.396 1.535 20 70 CDIDLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217540552 140163277 /nfs/dbraw/zinc/16/32/77/140163277.db2.gz NCBLNDIIKWKNBG-KGLIPLIRSA-N 2 2 275.396 1.535 20 70 CDIDLP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000161350559 521559996 /nfs/dbraw/zinc/55/99/96/521559996.db2.gz CDGNQMAXACEBNC-AWEZNQCLSA-N 3 2 253.434 1.887 20 70 CDIDLP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000161350559 521560005 /nfs/dbraw/zinc/56/00/05/521560005.db2.gz CDGNQMAXACEBNC-AWEZNQCLSA-N 3 2 253.434 1.887 20 70 CDIDLP CC[NH+]1CCC([NH+](C)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161350559 521560009 /nfs/dbraw/zinc/56/00/09/521560009.db2.gz CDGNQMAXACEBNC-AWEZNQCLSA-N 3 2 253.434 1.887 20 70 CDIDLP CC[NH+]1CCC([NH+](C)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161350559 521560014 /nfs/dbraw/zinc/56/00/14/521560014.db2.gz CDGNQMAXACEBNC-AWEZNQCLSA-N 3 2 253.434 1.887 20 70 CDIDLP COc1ccc(OCC[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000161124521 364451551 /nfs/dbraw/zinc/45/15/51/364451551.db2.gz RAEFNPQPEBVATF-UHFFFAOYSA-N 2 2 275.352 1.903 20 70 CDIDLP COc1ccc(OCC[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000161124521 364451560 /nfs/dbraw/zinc/45/15/60/364451560.db2.gz RAEFNPQPEBVATF-UHFFFAOYSA-N 2 2 275.352 1.903 20 70 CDIDLP C[N@H+](CCn1cc[nH+]c1)C[C@H](O)COCc1ccccc1 ZINC000159818301 364270336 /nfs/dbraw/zinc/27/03/36/364270336.db2.gz HNIYUSBGVFZGES-INIZCTEOSA-N 2 2 289.379 1.393 20 70 CDIDLP C[N@@H+](CCn1cc[nH+]c1)C[C@H](O)COCc1ccccc1 ZINC000159818301 364270338 /nfs/dbraw/zinc/27/03/38/364270338.db2.gz HNIYUSBGVFZGES-INIZCTEOSA-N 2 2 289.379 1.393 20 70 CDIDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160400386 521879419 /nfs/dbraw/zinc/87/94/19/521879419.db2.gz QDMDVDNJBTYVSC-CYBMUJFWSA-N 2 2 258.369 1.718 20 70 CDIDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160400386 521879427 /nfs/dbraw/zinc/87/94/27/521879427.db2.gz QDMDVDNJBTYVSC-CYBMUJFWSA-N 2 2 258.369 1.718 20 70 CDIDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000159869690 362376854 /nfs/dbraw/zinc/37/68/54/362376854.db2.gz LFQLSTIDYJOGKP-LPEHRKFASA-N 2 2 281.322 1.113 20 70 CDIDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000159869690 362376858 /nfs/dbraw/zinc/37/68/58/362376858.db2.gz LFQLSTIDYJOGKP-LPEHRKFASA-N 2 2 281.322 1.113 20 70 CDIDLP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000218133714 365186589 /nfs/dbraw/zinc/18/65/89/365186589.db2.gz DGEFQOPCQMDJBT-CABCVRRESA-N 2 2 273.380 1.502 20 70 CDIDLP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000218133714 365186594 /nfs/dbraw/zinc/18/65/94/365186594.db2.gz DGEFQOPCQMDJBT-CABCVRRESA-N 2 2 273.380 1.502 20 70 CDIDLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)C1CC1 ZINC000161311520 377185677 /nfs/dbraw/zinc/18/56/77/377185677.db2.gz DTILDFHXBICGRB-NWDGAFQWSA-N 2 2 276.384 1.044 20 70 CDIDLP CCCC[N@H+](C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161476670 520406690 /nfs/dbraw/zinc/40/66/90/520406690.db2.gz SKDGKVSEZXXQOV-UHFFFAOYSA-N 2 2 269.433 1.755 20 70 CDIDLP CCCC[N@@H+](C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161476670 520406694 /nfs/dbraw/zinc/40/66/94/520406694.db2.gz SKDGKVSEZXXQOV-UHFFFAOYSA-N 2 2 269.433 1.755 20 70 CDIDLP CC(C)[NH+]1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000218099539 344860053 /nfs/dbraw/zinc/86/00/53/344860053.db2.gz OUWMOMJMWFWVAF-ONEGZZNKSA-N 2 2 262.357 1.412 20 70 CDIDLP [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000161435634 373730116 /nfs/dbraw/zinc/73/01/16/373730116.db2.gz OTPMJWLMDNKGJW-UONOGXRCSA-N 2 2 284.363 1.872 20 70 CDIDLP C[NH+]1CCC(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000218094175 344859769 /nfs/dbraw/zinc/85/97/69/344859769.db2.gz WVMLRQYVLMNZGX-AWEZNQCLSA-N 2 2 288.395 1.118 20 70 CDIDLP CCOCC[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000159946884 363477209 /nfs/dbraw/zinc/47/72/09/363477209.db2.gz COEJIFIIGBZWBG-UHFFFAOYSA-N 2 2 288.395 1.488 20 70 CDIDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[NH2+]CC2)c1 ZINC000159438000 534240500 /nfs/dbraw/zinc/24/05/00/534240500.db2.gz JPNXLQNFOLLJPT-UHFFFAOYSA-N 2 2 270.336 1.226 20 70 CDIDLP C(CN1CC[C@@H]([NH+]2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161269016 391586585 /nfs/dbraw/zinc/58/65/85/391586585.db2.gz ZJKKKXGQACXTBV-MRXNPFEDSA-N 2 2 281.444 1.269 20 70 CDIDLP COc1cc(C[NH+]2CCC([NH3+])CC2)cc2c1OCO2 ZINC000159977320 362383926 /nfs/dbraw/zinc/38/39/26/362383926.db2.gz GXXUZVOLMFJQDV-UHFFFAOYSA-N 2 2 264.325 1.347 20 70 CDIDLP c1cc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)ccn1 ZINC000161208776 237197073 /nfs/dbraw/zinc/19/70/73/237197073.db2.gz AUUILBDGOYZRGC-UHFFFAOYSA-N 2 2 288.439 1.685 20 70 CDIDLP Cc1nc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cs1 ZINC000161497141 526839410 /nfs/dbraw/zinc/83/94/10/526839410.db2.gz KWZSRQNXOAOPRE-UHFFFAOYSA-N 2 2 282.457 1.521 20 70 CDIDLP Cc1nc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cs1 ZINC000161497141 526839413 /nfs/dbraw/zinc/83/94/13/526839413.db2.gz KWZSRQNXOAOPRE-UHFFFAOYSA-N 2 2 282.457 1.521 20 70 CDIDLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161379158 539117609 /nfs/dbraw/zinc/11/76/09/539117609.db2.gz JXUCULJSLHTGJY-ZDUSSCGKSA-N 2 2 290.411 1.507 20 70 CDIDLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217544004 140163401 /nfs/dbraw/zinc/16/34/01/140163401.db2.gz SQNXSUCHQYJRQY-HZSPNIEDSA-N 2 2 267.417 1.352 20 70 CDIDLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217544004 140163403 /nfs/dbraw/zinc/16/34/03/140163403.db2.gz SQNXSUCHQYJRQY-HZSPNIEDSA-N 2 2 267.417 1.352 20 70 CDIDLP C[N@H+](CCC[NH+]1CCCCC1)CC(=O)NC1CC1 ZINC000161257235 522750841 /nfs/dbraw/zinc/75/08/41/522750841.db2.gz VMBAPMQOCUYMNX-UHFFFAOYSA-N 2 2 253.390 1.073 20 70 CDIDLP C[N@@H+](CCC[NH+]1CCCCC1)CC(=O)NC1CC1 ZINC000161257235 522750850 /nfs/dbraw/zinc/75/08/50/522750850.db2.gz VMBAPMQOCUYMNX-UHFFFAOYSA-N 2 2 253.390 1.073 20 70 CDIDLP CC[C@@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000161073206 523664693 /nfs/dbraw/zinc/66/46/93/523664693.db2.gz SMLFKQILTCNJQI-HUUCEWRRSA-N 2 2 270.417 1.192 20 70 CDIDLP CC[C@@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000161073206 523664707 /nfs/dbraw/zinc/66/47/07/523664707.db2.gz SMLFKQILTCNJQI-HUUCEWRRSA-N 2 2 270.417 1.192 20 70 CDIDLP COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000160980887 362582816 /nfs/dbraw/zinc/58/28/16/362582816.db2.gz LJWXLCHTWBNPTR-UKRRQHHQSA-N 2 2 264.369 1.633 20 70 CDIDLP COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000160980887 362582819 /nfs/dbraw/zinc/58/28/19/362582819.db2.gz LJWXLCHTWBNPTR-UKRRQHHQSA-N 2 2 264.369 1.633 20 70 CDIDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161205777 377478669 /nfs/dbraw/zinc/47/86/69/377478669.db2.gz SYDHXWIBRNTQPB-YMAMQOFZSA-N 2 2 267.417 1.508 20 70 CDIDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161205777 377478679 /nfs/dbraw/zinc/47/86/79/377478679.db2.gz SYDHXWIBRNTQPB-YMAMQOFZSA-N 2 2 267.417 1.508 20 70 CDIDLP NC(=O)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000160492766 295147856 /nfs/dbraw/zinc/14/78/56/295147856.db2.gz WCAUNHUCXUABAV-CYBMUJFWSA-N 2 2 253.390 1.202 20 70 CDIDLP NC(=O)[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000160492766 295147855 /nfs/dbraw/zinc/14/78/55/295147855.db2.gz WCAUNHUCXUABAV-CYBMUJFWSA-N 2 2 253.390 1.202 20 70 CDIDLP CC[N@H+](CCNCc1c[nH+]c(N(C)C)n1C)C1CC1 ZINC000217413137 535736438 /nfs/dbraw/zinc/73/64/38/535736438.db2.gz HTSJZYJDMZEWIZ-UHFFFAOYSA-N 2 2 265.405 1.060 20 70 CDIDLP CC[N@@H+](CCNCc1c[nH+]c(N(C)C)n1C)C1CC1 ZINC000217413137 535736444 /nfs/dbraw/zinc/73/64/44/535736444.db2.gz HTSJZYJDMZEWIZ-UHFFFAOYSA-N 2 2 265.405 1.060 20 70 CDIDLP C(C[NH+]1CCCCC1)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000161417111 518387160 /nfs/dbraw/zinc/38/71/60/518387160.db2.gz SKLWVKYNCGXBJJ-UHFFFAOYSA-N 2 2 282.428 1.744 20 70 CDIDLP C(C[NH+]1CCCCC1)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000161417111 518387164 /nfs/dbraw/zinc/38/71/64/518387164.db2.gz SKLWVKYNCGXBJJ-UHFFFAOYSA-N 2 2 282.428 1.744 20 70 CDIDLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)C1CC1 ZINC000161311759 369833113 /nfs/dbraw/zinc/83/31/13/369833113.db2.gz DTILDFHXBICGRB-RYUDHWBXSA-N 2 2 276.384 1.044 20 70 CDIDLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217540638 140163842 /nfs/dbraw/zinc/16/38/42/140163842.db2.gz NCBLNDIIKWKNBG-KBPBESRZSA-N 2 2 275.396 1.535 20 70 CDIDLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217540638 140163844 /nfs/dbraw/zinc/16/38/44/140163844.db2.gz NCBLNDIIKWKNBG-KBPBESRZSA-N 2 2 275.396 1.535 20 70 CDIDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161494577 521603578 /nfs/dbraw/zinc/60/35/78/521603578.db2.gz PMDDMOJYEIZCQL-GPANFISMSA-N 2 2 281.444 1.898 20 70 CDIDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161494577 521603591 /nfs/dbraw/zinc/60/35/91/521603591.db2.gz PMDDMOJYEIZCQL-GPANFISMSA-N 2 2 281.444 1.898 20 70 CDIDLP CO[C@H]1CC[N@H+](CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000161195816 523996346 /nfs/dbraw/zinc/99/63/46/523996346.db2.gz WJBWEPGRKHWUSC-ZFWWWQNUSA-N 2 2 264.369 1.504 20 70 CDIDLP CO[C@H]1CC[N@@H+](CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000161195816 523996348 /nfs/dbraw/zinc/99/63/48/523996348.db2.gz WJBWEPGRKHWUSC-ZFWWWQNUSA-N 2 2 264.369 1.504 20 70 CDIDLP NC(=O)[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000160492899 295105064 /nfs/dbraw/zinc/10/50/64/295105064.db2.gz WCAUNHUCXUABAV-ZDUSSCGKSA-N 2 2 253.390 1.202 20 70 CDIDLP NC(=O)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000160492899 295105067 /nfs/dbraw/zinc/10/50/67/295105067.db2.gz WCAUNHUCXUABAV-ZDUSSCGKSA-N 2 2 253.390 1.202 20 70 CDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1 ZINC000161397310 539117634 /nfs/dbraw/zinc/11/76/34/539117634.db2.gz ZZPHDZNCWKXQFJ-UHFFFAOYSA-N 2 2 296.374 1.842 20 70 CDIDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000161012912 291084515 /nfs/dbraw/zinc/08/45/15/291084515.db2.gz UNIWPVISNJPTHU-XGUBFFRZSA-N 3 2 253.434 1.932 20 70 CDIDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000161012912 291084516 /nfs/dbraw/zinc/08/45/16/291084516.db2.gz UNIWPVISNJPTHU-XGUBFFRZSA-N 3 2 253.434 1.932 20 70 CDIDLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1cccs1 ZINC000217544542 140163642 /nfs/dbraw/zinc/16/36/42/140163642.db2.gz MRUQZRIHYPNVAB-RYUDHWBXSA-N 2 2 281.425 1.596 20 70 CDIDLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1cccs1 ZINC000217544542 140163643 /nfs/dbraw/zinc/16/36/43/140163643.db2.gz MRUQZRIHYPNVAB-RYUDHWBXSA-N 2 2 281.425 1.596 20 70 CDIDLP Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H](C[NH3+])C3CC3)nc12 ZINC000160140515 362397064 /nfs/dbraw/zinc/39/70/64/362397064.db2.gz ZXILHWIRUFPDCO-AWEZNQCLSA-N 2 2 286.379 1.172 20 70 CDIDLP Cc1cccn2c(=O)cc(C[N@H+](C)[C@@H](C[NH3+])C3CC3)nc12 ZINC000160140515 362397066 /nfs/dbraw/zinc/39/70/66/362397066.db2.gz ZXILHWIRUFPDCO-AWEZNQCLSA-N 2 2 286.379 1.172 20 70 CDIDLP CNC(=O)[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000160675527 362467042 /nfs/dbraw/zinc/46/70/42/362467042.db2.gz LFYKXMLJWIKMKC-ZDUSSCGKSA-N 2 2 253.390 1.073 20 70 CDIDLP CNC(=O)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000160675527 362467046 /nfs/dbraw/zinc/46/70/46/362467046.db2.gz LFYKXMLJWIKMKC-ZDUSSCGKSA-N 2 2 253.390 1.073 20 70 CDIDLP [NH3+]C[C@@H]1CN(Cc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000160024043 360358371 /nfs/dbraw/zinc/35/83/71/360358371.db2.gz FWYOBBTYAHYPPT-GFCCVEGCSA-N 2 2 280.759 1.147 20 70 CDIDLP CCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159419888 390939836 /nfs/dbraw/zinc/93/98/36/390939836.db2.gz OXNMXMPIRCBCGV-CYBMUJFWSA-N 2 2 253.390 1.201 20 70 CDIDLP CCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159419888 390939837 /nfs/dbraw/zinc/93/98/37/390939837.db2.gz OXNMXMPIRCBCGV-CYBMUJFWSA-N 2 2 253.390 1.201 20 70 CDIDLP C[NH+](C)C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161105055 237193534 /nfs/dbraw/zinc/19/35/34/237193534.db2.gz GLXDNXVAMWUKFI-OAHLLOKOSA-N 3 2 253.434 1.746 20 70 CDIDLP C[NH+](C)C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161105055 237193553 /nfs/dbraw/zinc/19/35/53/237193553.db2.gz GLXDNXVAMWUKFI-OAHLLOKOSA-N 3 2 253.434 1.746 20 70 CDIDLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000217550525 392962739 /nfs/dbraw/zinc/96/27/39/392962739.db2.gz SRFCCULLGNPKRS-HRCADAONSA-N 2 2 293.455 1.838 20 70 CDIDLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000217550525 392962745 /nfs/dbraw/zinc/96/27/45/392962745.db2.gz SRFCCULLGNPKRS-HRCADAONSA-N 2 2 293.455 1.838 20 70 CDIDLP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161407907 377618407 /nfs/dbraw/zinc/61/84/07/377618407.db2.gz XWGQKLSKZRRCTA-AWEZNQCLSA-N 2 2 290.411 1.246 20 70 CDIDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000159422122 361694079 /nfs/dbraw/zinc/69/40/79/361694079.db2.gz WWHDLNSOHBYAJO-INIZCTEOSA-N 2 2 287.407 1.601 20 70 CDIDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000159422122 361694085 /nfs/dbraw/zinc/69/40/85/361694085.db2.gz WWHDLNSOHBYAJO-INIZCTEOSA-N 2 2 287.407 1.601 20 70 CDIDLP CC(=O)NC1CCC([NH2+]C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC000161266493 278088718 /nfs/dbraw/zinc/08/87/18/278088718.db2.gz PRPYVQOBYWDGAX-GPANFISMSA-N 2 2 283.460 2.000 20 70 CDIDLP CC(=O)NC1CCC([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000161266565 519645452 /nfs/dbraw/zinc/64/54/52/519645452.db2.gz PRPYVQOBYWDGAX-UYSNPLJNSA-N 2 2 283.460 2.000 20 70 CDIDLP CCc1nnc(C[N@H+](C)CCCn2cc[nH+]c2C)[nH]1 ZINC000159428803 364204842 /nfs/dbraw/zinc/20/48/42/364204842.db2.gz KUQZAECLWOBQIE-UHFFFAOYSA-N 2 2 262.361 1.394 20 70 CDIDLP CCc1nnc(C[N@@H+](C)CCCn2cc[nH+]c2C)[nH]1 ZINC000159428803 364204848 /nfs/dbraw/zinc/20/48/48/364204848.db2.gz KUQZAECLWOBQIE-UHFFFAOYSA-N 2 2 262.361 1.394 20 70 CDIDLP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217550037 140163934 /nfs/dbraw/zinc/16/39/34/140163934.db2.gz ZNDAGBGZKZJQSQ-KGLIPLIRSA-N 2 2 287.407 1.635 20 70 CDIDLP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217550037 140163935 /nfs/dbraw/zinc/16/39/35/140163935.db2.gz ZNDAGBGZKZJQSQ-KGLIPLIRSA-N 2 2 287.407 1.635 20 70 CDIDLP CCC(CC)(C[NH3+])C(=O)Nc1c[nH+]ccc1OC ZINC000161279037 362390405 /nfs/dbraw/zinc/39/04/05/362390405.db2.gz KUVCRCABIBBIEQ-UHFFFAOYSA-N 2 2 251.330 1.794 20 70 CDIDLP CC(C)C[C@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000216755645 344826597 /nfs/dbraw/zinc/82/65/97/344826597.db2.gz GFYMIKIQJWJFBS-LBPRGKRZSA-N 2 2 260.341 1.324 20 70 CDIDLP C[NH+]1CCC(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161094540 523759582 /nfs/dbraw/zinc/75/95/82/523759582.db2.gz VCZPYRMYNADNJE-CQSZACIVSA-N 2 2 290.411 1.294 20 70 CDIDLP CC(C)([NH3+])CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000160097722 527255756 /nfs/dbraw/zinc/25/57/56/527255756.db2.gz WMGFQDJSXCMXHE-UHFFFAOYSA-N 2 2 258.325 1.339 20 70 CDIDLP Cc1csc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000159748357 364260483 /nfs/dbraw/zinc/26/04/83/364260483.db2.gz YKGWIZVIUQKTMM-UHFFFAOYSA-N 2 2 277.397 1.470 20 70 CDIDLP Oc1cccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000161318851 364478231 /nfs/dbraw/zinc/47/82/31/364478231.db2.gz JMSPLWCTXGQQMV-UHFFFAOYSA-N 2 2 272.352 1.411 20 70 CDIDLP c1cnnc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000161314740 364476537 /nfs/dbraw/zinc/47/65/37/364476537.db2.gz YBGMRJCRLWKHJU-UHFFFAOYSA-N 2 2 289.427 1.475 20 70 CDIDLP COc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000160980700 357159610 /nfs/dbraw/zinc/15/96/10/357159610.db2.gz LJWXLCHTWBNPTR-HIFRSBDPSA-N 2 2 264.369 1.633 20 70 CDIDLP COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000160980700 357159616 /nfs/dbraw/zinc/15/96/16/357159616.db2.gz LJWXLCHTWBNPTR-HIFRSBDPSA-N 2 2 264.369 1.633 20 70 CDIDLP C[NH+](C)C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161104935 237193692 /nfs/dbraw/zinc/19/36/92/237193692.db2.gz GLXDNXVAMWUKFI-HNNXBMFYSA-N 3 2 253.434 1.746 20 70 CDIDLP C[NH+](C)C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161104935 237193702 /nfs/dbraw/zinc/19/37/02/237193702.db2.gz GLXDNXVAMWUKFI-HNNXBMFYSA-N 3 2 253.434 1.746 20 70 CDIDLP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000160359975 361526400 /nfs/dbraw/zinc/52/64/00/361526400.db2.gz BUNDGXUGWBLEEN-CQSZACIVSA-N 2 2 261.369 1.829 20 70 CDIDLP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000160359975 361526405 /nfs/dbraw/zinc/52/64/05/361526405.db2.gz BUNDGXUGWBLEEN-CQSZACIVSA-N 2 2 261.369 1.829 20 70 CDIDLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000159399266 390939769 /nfs/dbraw/zinc/93/97/69/390939769.db2.gz HMUVDEBMECSNOD-GFCCVEGCSA-N 2 2 283.441 1.997 20 70 CDIDLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000159399266 390939770 /nfs/dbraw/zinc/93/97/70/390939770.db2.gz HMUVDEBMECSNOD-GFCCVEGCSA-N 2 2 283.441 1.997 20 70 CDIDLP c1nc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n[nH]1 ZINC000161488291 526622950 /nfs/dbraw/zinc/62/29/50/526622950.db2.gz BUSGLNXGSFEOPJ-UHFFFAOYSA-N 2 2 277.416 1.860 20 70 CDIDLP [NH3+]CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000160164473 364314043 /nfs/dbraw/zinc/31/40/43/364314043.db2.gz RKSDOXATDGXMEU-UHFFFAOYSA-N 2 2 258.325 1.010 20 70 CDIDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000161012545 278028706 /nfs/dbraw/zinc/02/87/06/278028706.db2.gz UNIWPVISNJPTHU-TUVASFSCSA-N 3 2 253.434 1.932 20 70 CDIDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000161012545 278028707 /nfs/dbraw/zinc/02/87/07/278028707.db2.gz UNIWPVISNJPTHU-TUVASFSCSA-N 3 2 253.434 1.932 20 70 CDIDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159977572 362384108 /nfs/dbraw/zinc/38/41/08/362384108.db2.gz FCPXKXBJMCGIDC-GFCCVEGCSA-N 2 2 292.379 1.855 20 70 CDIDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159977572 362384113 /nfs/dbraw/zinc/38/41/13/362384113.db2.gz FCPXKXBJMCGIDC-GFCCVEGCSA-N 2 2 292.379 1.855 20 70 CDIDLP CCCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159373307 390939701 /nfs/dbraw/zinc/93/97/01/390939701.db2.gz ITVYWCDSUBDRJK-HNNXBMFYSA-N 2 2 281.444 1.981 20 70 CDIDLP CCCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159373307 390939702 /nfs/dbraw/zinc/93/97/02/390939702.db2.gz ITVYWCDSUBDRJK-HNNXBMFYSA-N 2 2 281.444 1.981 20 70 CDIDLP CCN(CC)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161308953 539117513 /nfs/dbraw/zinc/11/75/13/539117513.db2.gz OWDBRTLYNNKDIN-UHFFFAOYSA-N 2 2 276.384 1.072 20 70 CDIDLP C[N@@H+]1CCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@@H](C[NH3+])C1 ZINC000160209024 363757998 /nfs/dbraw/zinc/75/79/98/363757998.db2.gz LYQOWFZPQJAFTO-CGAUPDFVSA-N 2 2 291.439 1.160 20 70 CDIDLP C[N@H+]1CCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@@H](C[NH3+])C1 ZINC000160209024 363758002 /nfs/dbraw/zinc/75/80/02/363758002.db2.gz LYQOWFZPQJAFTO-CGAUPDFVSA-N 2 2 291.439 1.160 20 70 CDIDLP COc1ccccc1C[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000160974981 278049390 /nfs/dbraw/zinc/04/93/90/278049390.db2.gz YESFFCZGCPGIJF-ZIAGYGMSSA-N 2 2 264.369 1.633 20 70 CDIDLP COc1ccccc1C[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000160974981 278049394 /nfs/dbraw/zinc/04/93/94/278049394.db2.gz YESFFCZGCPGIJF-ZIAGYGMSSA-N 2 2 264.369 1.633 20 70 CDIDLP O=c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)occ1O ZINC000161338086 539117519 /nfs/dbraw/zinc/11/75/19/539117519.db2.gz QLAZTXVDPIPUSL-UHFFFAOYSA-N 2 2 287.319 1.063 20 70 CDIDLP Cc1ccc2nc(C[N@@H+](C)[C@H](C[NH3+])C3CC3)cc(=O)n2c1 ZINC000160094368 392497283 /nfs/dbraw/zinc/49/72/83/392497283.db2.gz FNVAEJARFPAJMM-CQSZACIVSA-N 2 2 286.379 1.172 20 70 CDIDLP Cc1ccc2nc(C[N@H+](C)[C@H](C[NH3+])C3CC3)cc(=O)n2c1 ZINC000160094368 392497288 /nfs/dbraw/zinc/49/72/88/392497288.db2.gz FNVAEJARFPAJMM-CQSZACIVSA-N 2 2 286.379 1.172 20 70 CDIDLP CO[C@H]1CC[N@H+](Cc2nc(C)ccc2O)[C@@H](C[NH3+])C1 ZINC000161032177 523998578 /nfs/dbraw/zinc/99/85/78/523998578.db2.gz MDCURBDNJHXMJU-NEPJUHHUSA-N 2 2 265.357 1.034 20 70 CDIDLP CO[C@H]1CC[N@@H+](Cc2nc(C)ccc2O)[C@@H](C[NH3+])C1 ZINC000161032177 523998584 /nfs/dbraw/zinc/99/85/84/523998584.db2.gz MDCURBDNJHXMJU-NEPJUHHUSA-N 2 2 265.357 1.034 20 70 CDIDLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)[C@@H]1C ZINC000217546641 391829023 /nfs/dbraw/zinc/82/90/23/391829023.db2.gz LLFMRMAKWKTDOG-KBXIAJHMSA-N 2 2 281.444 1.598 20 70 CDIDLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)[C@@H]1C ZINC000217546641 391829025 /nfs/dbraw/zinc/82/90/25/391829025.db2.gz LLFMRMAKWKTDOG-KBXIAJHMSA-N 2 2 281.444 1.598 20 70 CDIDLP [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000160992684 482849795 /nfs/dbraw/zinc/84/97/95/482849795.db2.gz XXRAGWGCCFBMGG-NEPJUHHUSA-N 2 2 272.352 1.263 20 70 CDIDLP C([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1C[NH2+]CCO1 ZINC000216737649 342439358 /nfs/dbraw/zinc/43/93/58/342439358.db2.gz KGMCYQLHWDCBNQ-DUTNFGBUSA-N 2 2 250.386 1.389 20 70 CDIDLP COC(=O)c1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159744543 362361692 /nfs/dbraw/zinc/36/16/92/362361692.db2.gz ARCJBXFIJPGQFQ-CQSZACIVSA-N 2 2 262.353 1.642 20 70 CDIDLP COC(=O)c1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159744543 362361697 /nfs/dbraw/zinc/36/16/97/362361697.db2.gz ARCJBXFIJPGQFQ-CQSZACIVSA-N 2 2 262.353 1.642 20 70 CDIDLP Cc1ccc2[nH+]c(CSCC(=O)NCCC[NH3+])cn2c1 ZINC000160117708 364308730 /nfs/dbraw/zinc/30/87/30/364308730.db2.gz NWUFMQBWBUTHEA-UHFFFAOYSA-N 2 2 292.408 1.341 20 70 CDIDLP CCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159410824 390939811 /nfs/dbraw/zinc/93/98/11/390939811.db2.gz GCBXQDFZWJEEGV-CQSZACIVSA-N 2 2 267.417 1.591 20 70 CDIDLP CCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159410824 390939812 /nfs/dbraw/zinc/93/98/12/390939812.db2.gz GCBXQDFZWJEEGV-CQSZACIVSA-N 2 2 267.417 1.591 20 70 CDIDLP C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000160764969 522504255 /nfs/dbraw/zinc/50/42/55/522504255.db2.gz SEROCTZQGQFGHM-ZDUSSCGKSA-N 2 2 270.336 1.306 20 70 CDIDLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217543866 392960048 /nfs/dbraw/zinc/96/00/48/392960048.db2.gz SQNXSUCHQYJRQY-RDBSUJKOSA-N 2 2 267.417 1.352 20 70 CDIDLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217543866 392960050 /nfs/dbraw/zinc/96/00/50/392960050.db2.gz SQNXSUCHQYJRQY-RDBSUJKOSA-N 2 2 267.417 1.352 20 70 CDIDLP C[C@]([NH2+]CCC[NH+]1CCCCC1)(C(N)=O)c1ccccc1 ZINC000161442415 525153987 /nfs/dbraw/zinc/15/39/87/525153987.db2.gz LSZIXASCACKJIV-QGZVFWFLSA-N 2 2 289.423 1.853 20 70 CDIDLP NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000216625532 364042729 /nfs/dbraw/zinc/04/27/29/364042729.db2.gz XHBAVBNKOVUULU-GJZGRUSLSA-N 2 2 273.380 1.502 20 70 CDIDLP NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000216625532 364042733 /nfs/dbraw/zinc/04/27/33/364042733.db2.gz XHBAVBNKOVUULU-GJZGRUSLSA-N 2 2 273.380 1.502 20 70 CDIDLP CCCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159373183 390939589 /nfs/dbraw/zinc/93/95/89/390939589.db2.gz ITVYWCDSUBDRJK-OAHLLOKOSA-N 2 2 281.444 1.981 20 70 CDIDLP CCCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159373183 390939590 /nfs/dbraw/zinc/93/95/90/390939590.db2.gz ITVYWCDSUBDRJK-OAHLLOKOSA-N 2 2 281.444 1.981 20 70 CDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CCCC1 ZINC000161298176 539117413 /nfs/dbraw/zinc/11/74/13/539117413.db2.gz PVIIMFCEOXBXDB-UHFFFAOYSA-N 2 2 288.395 1.262 20 70 CDIDLP C[NH+](C)[C@@H]1CCCN(Cc2c[nH+]c3ccccn23)C1 ZINC000160335847 363822089 /nfs/dbraw/zinc/82/20/89/363822089.db2.gz STXGMZYGWUFZHS-CYBMUJFWSA-N 2 2 258.369 1.860 20 70 CDIDLP [NH3+]CCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000160124585 303379545 /nfs/dbraw/zinc/37/95/45/303379545.db2.gz RVONVHRKLHGBFH-AWEZNQCLSA-N 2 2 293.436 1.242 20 70 CDIDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159981077 362384682 /nfs/dbraw/zinc/38/46/82/362384682.db2.gz RNESNEHAYHSJQU-NSHDSACASA-N 2 2 278.352 1.465 20 70 CDIDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159981077 362384686 /nfs/dbraw/zinc/38/46/86/362384686.db2.gz RNESNEHAYHSJQU-NSHDSACASA-N 2 2 278.352 1.465 20 70 CDIDLP [NH3+]C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000160254381 364326269 /nfs/dbraw/zinc/32/62/69/364326269.db2.gz VWHMMSKQXHZBNP-CQSZACIVSA-N 2 2 270.336 1.436 20 70 CDIDLP CCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387447 521670391 /nfs/dbraw/zinc/67/03/91/521670391.db2.gz XLVYWVSLQDYAOA-ZIAGYGMSSA-N 2 2 288.457 1.370 20 70 CDIDLP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387447 521670396 /nfs/dbraw/zinc/67/03/96/521670396.db2.gz XLVYWVSLQDYAOA-ZIAGYGMSSA-N 2 2 288.457 1.370 20 70 CDIDLP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387447 521670402 /nfs/dbraw/zinc/67/04/02/521670402.db2.gz XLVYWVSLQDYAOA-ZIAGYGMSSA-N 2 2 288.457 1.370 20 70 CDIDLP CCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387447 521670406 /nfs/dbraw/zinc/67/04/06/521670406.db2.gz XLVYWVSLQDYAOA-ZIAGYGMSSA-N 2 2 288.457 1.370 20 70 CDIDLP CC(=O)NC1CCC([NH2+]CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000161289555 519645125 /nfs/dbraw/zinc/64/51/25/519645125.db2.gz OYPJFUPSCCBWGL-JEYLPNPQSA-N 2 2 281.444 1.755 20 70 CDIDLP CC(=O)NC1CCC([NH2+]CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000161289555 519645126 /nfs/dbraw/zinc/64/51/26/519645126.db2.gz OYPJFUPSCCBWGL-JEYLPNPQSA-N 2 2 281.444 1.755 20 70 CDIDLP CC(=O)NC1CCC([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000161397902 519645395 /nfs/dbraw/zinc/64/53/95/519645395.db2.gz HPDDPJZPFZKDJZ-UHFFFAOYSA-N 2 2 255.406 1.364 20 70 CDIDLP CC(=O)NC1CCC([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000161397902 519645396 /nfs/dbraw/zinc/64/53/96/519645396.db2.gz HPDDPJZPFZKDJZ-UHFFFAOYSA-N 2 2 255.406 1.364 20 70 CDIDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000159869953 362376888 /nfs/dbraw/zinc/37/68/88/362376888.db2.gz LFQLSTIDYJOGKP-GUBZILKMSA-N 2 2 281.322 1.113 20 70 CDIDLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000159869953 362376891 /nfs/dbraw/zinc/37/68/91/362376891.db2.gz LFQLSTIDYJOGKP-GUBZILKMSA-N 2 2 281.322 1.113 20 70 CDIDLP C[NH2+]CCC[N@H+](C)Cc1cc2c(c(OC)c1)OCO2 ZINC000159990798 362385421 /nfs/dbraw/zinc/38/54/21/362385421.db2.gz UYFIYFNXBHKMFL-UHFFFAOYSA-N 2 2 266.341 1.465 20 70 CDIDLP C[NH2+]CCC[N@@H+](C)Cc1cc2c(c(OC)c1)OCO2 ZINC000159990798 362385425 /nfs/dbraw/zinc/38/54/25/362385425.db2.gz UYFIYFNXBHKMFL-UHFFFAOYSA-N 2 2 266.341 1.465 20 70 CDIDLP [NH3+]C[C@H]1CN(Cc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000160024183 362387835 /nfs/dbraw/zinc/38/78/35/362387835.db2.gz FWYOBBTYAHYPPT-LBPRGKRZSA-N 2 2 280.759 1.147 20 70 CDIDLP [NH3+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCCCC1 ZINC000159706276 364254489 /nfs/dbraw/zinc/25/44/89/364254489.db2.gz SVLBSWBAVWOTDE-UHFFFAOYSA-N 2 2 299.378 1.659 20 70 CDIDLP Clc1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)nc1 ZINC000159777920 364264029 /nfs/dbraw/zinc/26/40/29/364264029.db2.gz WEZCGCALNRYVKD-UHFFFAOYSA-N 2 2 291.786 1.754 20 70 CDIDLP COC(=O)c1cccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160006252 362386377 /nfs/dbraw/zinc/38/63/77/362386377.db2.gz PXSOLPMOUTVNMD-AWEZNQCLSA-N 2 2 262.353 1.642 20 70 CDIDLP COC(=O)c1cccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160006252 362386383 /nfs/dbraw/zinc/38/63/83/362386383.db2.gz PXSOLPMOUTVNMD-AWEZNQCLSA-N 2 2 262.353 1.642 20 70 CDIDLP C[N@@H+]1CCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@H](C[NH3+])C1 ZINC000160208871 363757792 /nfs/dbraw/zinc/75/77/92/363757792.db2.gz LYQOWFZPQJAFTO-BAPHQMLMSA-N 2 2 291.439 1.160 20 70 CDIDLP C[N@H+]1CCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@H](C[NH3+])C1 ZINC000160208871 363757798 /nfs/dbraw/zinc/75/77/98/363757798.db2.gz LYQOWFZPQJAFTO-BAPHQMLMSA-N 2 2 291.439 1.160 20 70 CDIDLP CO[C@@H]1CC[N@@H+](Cc2nc(C)ccc2O)[C@@H](C[NH3+])C1 ZINC000161032294 360511330 /nfs/dbraw/zinc/51/13/30/360511330.db2.gz MDCURBDNJHXMJU-VXGBXAGGSA-N 2 2 265.357 1.034 20 70 CDIDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161205903 377478284 /nfs/dbraw/zinc/47/82/84/377478284.db2.gz SYDHXWIBRNTQPB-NRXISQOPSA-N 2 2 267.417 1.508 20 70 CDIDLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161205903 377478294 /nfs/dbraw/zinc/47/82/94/377478294.db2.gz SYDHXWIBRNTQPB-NRXISQOPSA-N 2 2 267.417 1.508 20 70 CDIDLP COCC[N@H+](C)CC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000159399400 390939778 /nfs/dbraw/zinc/93/97/78/390939778.db2.gz HMUVDEBMECSNOD-LBPRGKRZSA-N 2 2 283.441 1.997 20 70 CDIDLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000159399400 390939779 /nfs/dbraw/zinc/93/97/79/390939779.db2.gz HMUVDEBMECSNOD-LBPRGKRZSA-N 2 2 283.441 1.997 20 70 CDIDLP C[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000161437092 391592510 /nfs/dbraw/zinc/59/25/10/391592510.db2.gz GUSUWDOPUBTEJT-ZDUSSCGKSA-N 2 2 290.411 1.436 20 70 CDIDLP C[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000161437092 391592513 /nfs/dbraw/zinc/59/25/13/391592513.db2.gz GUSUWDOPUBTEJT-ZDUSSCGKSA-N 2 2 290.411 1.436 20 70 CDIDLP C[C@@H](CNCc1c[nH+]c(N(C)C)n1C)[N@H+](C)C1CC1 ZINC000217533869 140163525 /nfs/dbraw/zinc/16/35/25/140163525.db2.gz XPBDCZMAZCIWIA-NSHDSACASA-N 2 2 265.405 1.058 20 70 CDIDLP C[C@@H](CNCc1c[nH+]c(N(C)C)n1C)[N@@H+](C)C1CC1 ZINC000217533869 140163526 /nfs/dbraw/zinc/16/35/26/140163526.db2.gz XPBDCZMAZCIWIA-NSHDSACASA-N 2 2 265.405 1.058 20 70 CDIDLP Cc1ccc2nc(C[N@@H+](C)[C@@H](C[NH3+])C3CC3)cc(=O)n2c1 ZINC000160094233 362394189 /nfs/dbraw/zinc/39/41/89/362394189.db2.gz FNVAEJARFPAJMM-AWEZNQCLSA-N 2 2 286.379 1.172 20 70 CDIDLP Cc1ccc2nc(C[N@H+](C)[C@@H](C[NH3+])C3CC3)cc(=O)n2c1 ZINC000160094233 362394190 /nfs/dbraw/zinc/39/41/90/362394190.db2.gz FNVAEJARFPAJMM-AWEZNQCLSA-N 2 2 286.379 1.172 20 70 CDIDLP Cc1noc([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)n1 ZINC000159773552 364264207 /nfs/dbraw/zinc/26/42/07/364264207.db2.gz XKVUMWBHQJKEER-LBPRGKRZSA-N 2 2 261.329 1.454 20 70 CDIDLP Cc1noc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)n1 ZINC000159773552 364264209 /nfs/dbraw/zinc/26/42/09/364264209.db2.gz XKVUMWBHQJKEER-LBPRGKRZSA-N 2 2 261.329 1.454 20 70 CDIDLP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000217848446 140164254 /nfs/dbraw/zinc/16/42/54/140164254.db2.gz VPDZJUYPKQTQRW-GOEBONIOSA-N 2 2 293.455 1.851 20 70 CDIDLP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000217848446 140164256 /nfs/dbraw/zinc/16/42/56/140164256.db2.gz VPDZJUYPKQTQRW-GOEBONIOSA-N 2 2 293.455 1.851 20 70 CDIDLP Cn1cc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)cn1 ZINC000161388172 527251265 /nfs/dbraw/zinc/25/12/65/527251265.db2.gz PKOPXVTUHPVPGX-UHFFFAOYSA-N 2 2 291.443 1.418 20 70 CDIDLP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161380400 538853416 /nfs/dbraw/zinc/85/34/16/538853416.db2.gz JHGKCKIFUPTDJY-AWEZNQCLSA-N 2 2 290.411 1.364 20 70 CDIDLP C[NH2+][C@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000160786901 364408941 /nfs/dbraw/zinc/40/89/41/364408941.db2.gz IHDJKRCDGJNHGR-HNNXBMFYSA-N 2 2 284.363 1.365 20 70 CDIDLP O[C@]1(C(F)(F)F)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161442483 237202187 /nfs/dbraw/zinc/20/21/87/237202187.db2.gz XWRZBXGJSOAGKU-GFCCVEGCSA-N 2 2 280.334 1.862 20 70 CDIDLP O[C@]1(C(F)(F)F)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161442483 237202195 /nfs/dbraw/zinc/20/21/95/237202195.db2.gz XWRZBXGJSOAGKU-GFCCVEGCSA-N 2 2 280.334 1.862 20 70 CDIDLP COC(=O)c1cccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000160006414 360315479 /nfs/dbraw/zinc/31/54/79/360315479.db2.gz PXSOLPMOUTVNMD-CQSZACIVSA-N 2 2 262.353 1.642 20 70 CDIDLP COC(=O)c1cccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000160006414 360315483 /nfs/dbraw/zinc/31/54/83/360315483.db2.gz PXSOLPMOUTVNMD-CQSZACIVSA-N 2 2 262.353 1.642 20 70 CDIDLP CCC[N@H+](CCC[NH+]1CCCCC1)CC(=O)N(C)C ZINC000161291919 364475183 /nfs/dbraw/zinc/47/51/83/364475183.db2.gz ZMJLBKRMKNYFKT-UHFFFAOYSA-N 2 2 269.433 1.663 20 70 CDIDLP CCC[N@@H+](CCC[NH+]1CCCCC1)CC(=O)N(C)C ZINC000161291919 364475186 /nfs/dbraw/zinc/47/51/86/364475186.db2.gz ZMJLBKRMKNYFKT-UHFFFAOYSA-N 2 2 269.433 1.663 20 70 CDIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(N)=O ZINC000160067509 364302814 /nfs/dbraw/zinc/30/28/14/364302814.db2.gz GEGRQVKOYRKDHU-ZDUSSCGKSA-N 2 2 290.411 1.494 20 70 CDIDLP [NH3+]CC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000217139091 342439408 /nfs/dbraw/zinc/43/94/08/342439408.db2.gz AFZGSSCSBGNNOL-UHFFFAOYSA-N 2 2 265.332 1.435 20 70 CDIDLP CCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159420040 390939918 /nfs/dbraw/zinc/93/99/18/390939918.db2.gz OXNMXMPIRCBCGV-ZDUSSCGKSA-N 2 2 253.390 1.201 20 70 CDIDLP CCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159420040 390939919 /nfs/dbraw/zinc/93/99/19/390939919.db2.gz OXNMXMPIRCBCGV-ZDUSSCGKSA-N 2 2 253.390 1.201 20 70 CDIDLP Cn1cc[nH+]c1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161363255 539117678 /nfs/dbraw/zinc/11/76/78/539117678.db2.gz FKYJYFFXRVXJJH-UHFFFAOYSA-N 2 2 257.341 1.137 20 70 CDIDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159981184 362385218 /nfs/dbraw/zinc/38/52/18/362385218.db2.gz RNESNEHAYHSJQU-LLVKDONJSA-N 2 2 278.352 1.465 20 70 CDIDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159981184 362385225 /nfs/dbraw/zinc/38/52/25/362385225.db2.gz RNESNEHAYHSJQU-LLVKDONJSA-N 2 2 278.352 1.465 20 70 CDIDLP CN(CCC[NH+]1CCCCC1)CC[NH+]1CCOCC1 ZINC000160891862 362534908 /nfs/dbraw/zinc/53/49/08/362534908.db2.gz AGNOXIDXCXKSMJ-UHFFFAOYSA-N 2 2 269.433 1.126 20 70 CDIDLP C[NH+](C)C[C@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000160118046 363676075 /nfs/dbraw/zinc/67/60/75/363676075.db2.gz HWOKQVXBBIHSMF-AWEZNQCLSA-N 2 2 274.368 1.097 20 70 CDIDLP C[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000161160531 367356742 /nfs/dbraw/zinc/35/67/42/367356742.db2.gz HBJYTSYHPKSTFD-CYBMUJFWSA-N 2 2 272.352 1.087 20 70 CDIDLP CC(=O)NC1CCC([NH2+][C@H](C)C[NH+]2CCCCC2)CC1 ZINC000161275023 278089162 /nfs/dbraw/zinc/08/91/62/278089162.db2.gz ASOZSCNGBIVXMC-IUDNXUCKSA-N 2 2 281.444 1.898 20 70 CDIDLP COc1cccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000160995016 525950053 /nfs/dbraw/zinc/95/00/53/525950053.db2.gz LDARQRUYMVNIQT-HIFRSBDPSA-N 2 2 264.369 1.633 20 70 CDIDLP COc1cccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000160995016 525950061 /nfs/dbraw/zinc/95/00/61/525950061.db2.gz LDARQRUYMVNIQT-HIFRSBDPSA-N 2 2 264.369 1.633 20 70 CDIDLP [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000160360812 364036576 /nfs/dbraw/zinc/03/65/76/364036576.db2.gz ATPVFNAJPKEPPJ-AWEZNQCLSA-N 2 2 270.336 1.436 20 70 CDIDLP CC[C@](C)(O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000160664003 523493084 /nfs/dbraw/zinc/49/30/84/523493084.db2.gz LQRJJWIXBPNGQS-HIFRSBDPSA-N 2 2 270.417 1.333 20 70 CDIDLP CC[C@](C)(O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000160664003 523493092 /nfs/dbraw/zinc/49/30/92/523493092.db2.gz LQRJJWIXBPNGQS-HIFRSBDPSA-N 2 2 270.417 1.333 20 70 CDIDLP CNC(=O)[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000160675669 362466709 /nfs/dbraw/zinc/46/67/09/362466709.db2.gz LFYKXMLJWIKMKC-CYBMUJFWSA-N 2 2 253.390 1.073 20 70 CDIDLP CNC(=O)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000160675669 362466716 /nfs/dbraw/zinc/46/67/16/362466716.db2.gz LFYKXMLJWIKMKC-CYBMUJFWSA-N 2 2 253.390 1.073 20 70 CDIDLP CCCCOCCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000160194369 362403695 /nfs/dbraw/zinc/40/36/95/362403695.db2.gz ULNUXMWJVSRMNL-UHFFFAOYSA-N 2 2 268.405 1.783 20 70 CDIDLP COc1ccccc1C[N@H+](CCO)CCn1cc[nH+]c1 ZINC000159805814 364266610 /nfs/dbraw/zinc/26/66/10/364266610.db2.gz JQCUWWSMHHSKNC-UHFFFAOYSA-N 2 2 275.352 1.386 20 70 CDIDLP COc1ccccc1C[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000159805814 364266616 /nfs/dbraw/zinc/26/66/16/364266616.db2.gz JQCUWWSMHHSKNC-UHFFFAOYSA-N 2 2 275.352 1.386 20 70 CDIDLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1cccs1 ZINC000217544460 140162729 /nfs/dbraw/zinc/16/27/29/140162729.db2.gz MRUQZRIHYPNVAB-NEPJUHHUSA-N 2 2 281.425 1.596 20 70 CDIDLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1cccs1 ZINC000217544460 140162730 /nfs/dbraw/zinc/16/27/30/140162730.db2.gz MRUQZRIHYPNVAB-NEPJUHHUSA-N 2 2 281.425 1.596 20 70 CDIDLP