smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)OC[C@H]1O[C@@H](N2CNc3c2nc[nH+]c3N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000002027073 209344016 /nfs/dbraw/zinc/34/40/16/209344016.db2.gz RQXCQPVVSBQAEB-YGSHXTJESA-N 1 2 395.372 -0.600 40 0 GBABLO CC(=O)OC[C@H]1O[C@@H](N2CNc3c2nc[nH+]c3N)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004099319 209121570 /nfs/dbraw/zinc/12/15/70/209121570.db2.gz RQXCQPVVSBQAEB-QOFRNUMZSA-N 1 2 395.372 -0.600 40 0 GBABLO CC(=O)OC[C@@H]1O[C@@H](N2CNc3c2nc[nH+]c3N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000004099320 570357469 /nfs/dbraw/zinc/35/74/69/570357469.db2.gz RQXCQPVVSBQAEB-YPHNTLSLSA-N 1 2 395.372 -0.600 40 0 GBABLO CN1c2ncccc2C(=O)NC12CCN(C(=O)C[C@H]1C(=O)NCC[N@@H+]1C)CC2 ZINC000012183789 221163979 /nfs/dbraw/zinc/16/39/79/221163979.db2.gz QXOXACMFTBJJBS-AWEZNQCLSA-N 1 2 386.456 -0.600 40 0 GBABLO CN1c2ncccc2C(=O)NC12CCN(C(=O)C[C@H]1C(=O)NCC[N@H+]1C)CC2 ZINC000012183789 221163976 /nfs/dbraw/zinc/16/39/76/221163976.db2.gz QXOXACMFTBJJBS-AWEZNQCLSA-N 1 2 386.456 -0.600 40 0 GBABLO CN1c2ncccc2C(=O)NC12CCN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C)CC2 ZINC000012183793 570619810 /nfs/dbraw/zinc/61/98/10/570619810.db2.gz QXOXACMFTBJJBS-CQSZACIVSA-N 1 2 386.456 -0.600 40 0 GBABLO CN1c2ncccc2C(=O)NC12CCN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1C)CC2 ZINC000012183793 570619808 /nfs/dbraw/zinc/61/98/08/570619808.db2.gz QXOXACMFTBJJBS-CQSZACIVSA-N 1 2 386.456 -0.600 40 0 GBABLO CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCN(c3ccccc3)CC2)[C@H]1O ZINC000012484201 136200366 /nfs/dbraw/zinc/20/03/66/136200366.db2.gz QDSPYRMQXZFUNE-HSFUPAIVSA-N 1 2 376.457 -0.019 40 0 biogenic,in-vitro GBABLO CN(Cc1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000014397322 570883273 /nfs/dbraw/zinc/88/32/73/570883273.db2.gz JEERFNXFYLXSGO-UHFFFAOYSA-N 1 2 385.486 -0.095 40 0 GBABLO CS(=O)(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)Nc3ccccc3)[N@@H+]2C1 ZINC000015708075 291095733 /nfs/dbraw/zinc/09/57/33/291095733.db2.gz JPBJZXPQIDRJRJ-ZNMIVQPWSA-N 1 2 380.470 -0.104 40 0 biogenic,in-vitro GBABLO CS(=O)(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)Nc3ccccc3)[N@H+]2C1 ZINC000015708075 291095732 /nfs/dbraw/zinc/09/57/32/291095732.db2.gz JPBJZXPQIDRJRJ-ZNMIVQPWSA-N 1 2 380.470 -0.104 40 0 biogenic,in-vitro GBABLO Cc1nnc(SC(C(=O)N2CCN(C)CC2)C(=O)N2CC[NH+](C)CC2)s1 ZINC000016363409 210188310 /nfs/dbraw/zinc/18/83/10/210188310.db2.gz YOISOBVUIAKYNM-UHFFFAOYSA-N 1 2 398.558 -0.145 40 0 GBABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000019524224 570928351 /nfs/dbraw/zinc/92/83/51/570928351.db2.gz YNMYNZAFTKSUOW-UHFFFAOYSA-N 1 2 380.474 -0.680 40 0 GBABLO Cn1cc(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000019656975 207144957 /nfs/dbraw/zinc/14/49/57/207144957.db2.gz HHOBCUIPBSEWAU-UHFFFAOYSA-N 1 2 379.442 -0.620 40 0 GBABLO Cn1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000019662885 210280004 /nfs/dbraw/zinc/28/00/04/210280004.db2.gz LGCARQIEVLPNAA-CQSZACIVSA-N 1 2 378.454 -0.239 40 0 GBABLO Cn1cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000019662885 210279998 /nfs/dbraw/zinc/27/99/98/210279998.db2.gz LGCARQIEVLPNAA-CQSZACIVSA-N 1 2 378.454 -0.239 40 0 GBABLO CCc1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019714564 571036127 /nfs/dbraw/zinc/03/61/27/571036127.db2.gz ZCUZEILDPQIFOX-NSHDSACASA-N 1 2 375.429 -0.365 40 0 GBABLO CCc1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019714565 210286111 /nfs/dbraw/zinc/28/61/11/210286111.db2.gz ZCUZEILDPQIFOX-LLVKDONJSA-N 1 2 375.429 -0.365 40 0 GBABLO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccn1 ZINC000019717595 571040131 /nfs/dbraw/zinc/04/01/31/571040131.db2.gz FZRZNZWWDOHDTF-UHFFFAOYSA-N 1 2 397.501 -0.765 40 0 GBABLO C[N@H+](CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccn1 ZINC000019717595 571040126 /nfs/dbraw/zinc/04/01/26/571040126.db2.gz FZRZNZWWDOHDTF-UHFFFAOYSA-N 1 2 397.501 -0.765 40 0 GBABLO CN(C)S(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000020245420 570249839 /nfs/dbraw/zinc/24/98/39/570249839.db2.gz UBQYHDKVLGSIDY-UHFFFAOYSA-N 1 2 388.465 -0.113 40 0 GBABLO COc1ccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2[NH+]2CCOCC2)cc1 ZINC000020464725 210338280 /nfs/dbraw/zinc/33/82/80/210338280.db2.gz FKWBBEDTANSSGZ-YYIAUSFCSA-N 1 2 381.429 -0.362 40 0 biogenic,in-vitro GBABLO COc1ccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCOCC2)cc1 ZINC000020464728 575366872 /nfs/dbraw/zinc/36/68/72/575366872.db2.gz FKWBBEDTANSSGZ-LTIDMASMSA-N 1 2 381.429 -0.362 40 0 biogenic,in-vitro GBABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCOCC1)Nc1ccc(F)cc1F ZINC000020464791 575366921 /nfs/dbraw/zinc/36/69/21/575366921.db2.gz SAVGHQJHYASEPJ-FXUDXRNXSA-N 1 2 387.383 -0.092 40 0 biogenic,in-vitro GBABLO COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020465342 136202683 /nfs/dbraw/zinc/20/26/83/136202683.db2.gz FKGOTSFBYUAHLK-KCITZHQASA-N 1 2 397.447 -0.801 40 0 biogenic,in-vitro GBABLO COc1ccccc1N1CC[NH+]([C@H]2[C@@H](CNC(C)=O)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465495 537071507 /nfs/dbraw/zinc/07/15/07/537071507.db2.gz XLTJOULPZDQDKI-YDZRNGNQSA-N 1 2 379.457 -0.558 40 0 biogenic,in-vitro GBABLO CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000020465634 136202641 /nfs/dbraw/zinc/20/26/41/136202641.db2.gz CQZZFRFRINEFOG-MXSMSXNCSA-N 1 2 393.488 -0.600 40 0 biogenic,in-vitro GBABLO CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000026456114 206001989 /nfs/dbraw/zinc/00/19/89/206001989.db2.gz XGFSHSNQGFCKTI-UHFFFAOYSA-N 1 2 385.442 -0.370 40 0 GBABLO Nc1[nH+]cnc2c1c(I)cn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000027646915 530078497 /nfs/dbraw/zinc/07/84/97/530078497.db2.gz WHSIXKUPQCKWBY-FCKMSMMTSA-N 1 2 392.153 -0.770 40 0 in-vitro GBABLO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCC[NH+]1CCOCC1)O2 ZINC000030944428 570501978 /nfs/dbraw/zinc/50/19/78/570501978.db2.gz XCLDDHQCXQRKGI-MRXNPFEDSA-N 1 2 383.470 -0.030 40 0 GBABLO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCC[NH+]1CCOCC1)O2 ZINC000030944431 207378748 /nfs/dbraw/zinc/37/87/48/207378748.db2.gz XCLDDHQCXQRKGI-INIZCTEOSA-N 1 2 383.470 -0.030 40 0 GBABLO Cn1ccnc1SC(C(=O)N1CCN(C)CC1)C(=O)N1CC[NH+](C)CC1 ZINC000034695140 570298126 /nfs/dbraw/zinc/29/81/26/570298126.db2.gz UIXAWXKGQBMQTF-UHFFFAOYSA-N 1 2 380.518 -0.571 40 0 GBABLO C[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000036186421 209826654 /nfs/dbraw/zinc/82/66/54/209826654.db2.gz QVTFNTUBUMTCQB-UHFFFAOYSA-N 1 2 389.499 -0.356 40 0 GBABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCCN3CCOCC3)c2)CC1 ZINC000062065930 205185078 /nfs/dbraw/zinc/18/50/78/205185078.db2.gz YGWHLKCBKYPPKU-UHFFFAOYSA-N 1 2 396.513 -0.315 40 0 GBABLO CC(=O)OC[C@@H]1O[C@@H](N2CNc3c2nc[nH+]c3N)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000068675233 205272624 /nfs/dbraw/zinc/27/26/24/205272624.db2.gz RQXCQPVVSBQAEB-RKOGSIPDSA-N 1 2 395.372 -0.600 40 0 GBABLO CCNc1nc(NNC(=S)NC[C@@H]2CCS(=O)(=O)C2)nc(NCC)[nH+]1 ZINC000073667145 208037317 /nfs/dbraw/zinc/03/73/17/208037317.db2.gz JDNHZFXBPIKMOA-VIFPVBQESA-N 1 2 388.523 -0.039 40 0 GBABLO CCNc1nc(NNC(=S)NC[C@H]2CCS(=O)(=O)C2)nc(NCC)[nH+]1 ZINC000073667149 222271199 /nfs/dbraw/zinc/27/11/99/222271199.db2.gz JDNHZFXBPIKMOA-SECBINFHSA-N 1 2 388.523 -0.039 40 0 GBABLO Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]Cc3nccn3C)[C@@H]2O)cc1 ZINC000077264814 560046373 /nfs/dbraw/zinc/04/63/73/560046373.db2.gz BGJPYKZBBJFVHY-INMHGKMJSA-N 1 2 380.470 -0.075 40 0 biogenic,in-vitro GBABLO O=C(NCC[NH+]1CCOCC1)C1=NO[C@@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000096225700 570220422 /nfs/dbraw/zinc/22/04/22/570220422.db2.gz AOYXIPNHSYUKIB-KRWDZBQOSA-N 1 2 393.469 -0.048 40 0 GBABLO O=C(NCC[NH+]1CCOCC1)C1=NO[C@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000096225701 570220511 /nfs/dbraw/zinc/22/05/11/570220511.db2.gz AOYXIPNHSYUKIB-QGZVFWFLSA-N 1 2 393.469 -0.048 40 0 GBABLO Cn1cccc1C(=O)N1CC[C@]2(CC(C(=O)NCC[NH+]3CCOCC3)=NO2)C1 ZINC000096225702 222399449 /nfs/dbraw/zinc/39/94/49/222399449.db2.gz VAMZFPLDVHOGMB-IBGZPJMESA-N 1 2 389.456 -0.166 40 0 GBABLO Cn1cccc1C(=O)N1CC[C@@]2(CC(C(=O)NCC[NH+]3CCOCC3)=NO2)C1 ZINC000096225703 211320107 /nfs/dbraw/zinc/32/01/07/211320107.db2.gz VAMZFPLDVHOGMB-LJQANCHMSA-N 1 2 389.456 -0.166 40 0 GBABLO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cn1 ZINC000096251016 570224593 /nfs/dbraw/zinc/22/45/93/570224593.db2.gz ZYYNULDPAXCTNN-BZUAXINKSA-N 1 2 382.486 -0.486 40 0 GBABLO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cn1 ZINC000096251016 570224589 /nfs/dbraw/zinc/22/45/89/570224589.db2.gz ZYYNULDPAXCTNN-BZUAXINKSA-N 1 2 382.486 -0.486 40 0 GBABLO CC(C)n1c2c(nc1C(=O)NCC[NH+]1CCOCC1)CN(S(C)(=O)=O)CC2 ZINC000096264915 208297083 /nfs/dbraw/zinc/29/70/83/208297083.db2.gz ULKYRULRGSLOCF-UHFFFAOYSA-N 1 2 399.517 -0.156 40 0 GBABLO CN(C)S(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccccc1F ZINC000216254198 570297561 /nfs/dbraw/zinc/29/75/61/570297561.db2.gz NBMUGPTUYSISGA-UHFFFAOYSA-N 1 2 388.465 -0.113 40 0 GBABLO O=C(NCC[NH+]1CCOCC1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000216491363 570302393 /nfs/dbraw/zinc/30/23/93/570302393.db2.gz ROVXWQGDNRXDQL-UHFFFAOYSA-N 1 2 397.497 -0.089 40 0 GBABLO CC(C)NC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3[nH+]ccn3C)O[C@@H]2[C@@H]1O ZINC000225379913 529136622 /nfs/dbraw/zinc/13/66/22/529136622.db2.gz WDLVQMWTCRHNCM-ZJVPAZETSA-N 1 2 395.460 -0.580 40 0 biogenic,in-vitro GBABLO COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccc(F)cc3)C2)C1=O ZINC000225383073 560044133 /nfs/dbraw/zinc/04/41/33/560044133.db2.gz YSNPEIGLMOGRPE-CABCVRRESA-N 1 2 391.399 -0.643 40 0 biogenic,in-vitro GBABLO COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccs3)C2)C1=O ZINC000225383306 206044203 /nfs/dbraw/zinc/04/42/03/206044203.db2.gz FVQVFMQNSROYJY-YPMHNXCESA-N 1 2 379.438 -0.721 40 0 biogenic,in-vitro GBABLO O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3c[nH]c[nH+]3)C2)C(=O)N1Cc1ccccc1 ZINC000225386610 560043992 /nfs/dbraw/zinc/04/39/92/560043992.db2.gz IRNJHGATHYMMKH-SJORKVTESA-N 1 2 381.436 -0.032 40 0 biogenic,in-vitro GBABLO O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3c[nH+]c[nH]3)C2)C(=O)N1Cc1ccccc1 ZINC000225386610 560043991 /nfs/dbraw/zinc/04/39/91/560043991.db2.gz IRNJHGATHYMMKH-SJORKVTESA-N 1 2 381.436 -0.032 40 0 biogenic,in-vitro GBABLO COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3F)C2)C1=O ZINC000225387246 560043986 /nfs/dbraw/zinc/04/39/86/560043986.db2.gz IZJJXDVTCUERRA-HIFRSBDPSA-N 1 2 391.399 -0.643 40 0 biogenic,in-vitro GBABLO CC[NH+]1CC2(C1)C(=O)N(Cc1ccc(C(=O)OC)cc1)C(=O)[C@@H]1C[C@@H](O)CN12 ZINC000225395211 211892747 /nfs/dbraw/zinc/89/27/47/211892747.db2.gz LUTFIHMTSXGGBV-CVEARBPZSA-N 1 2 387.436 -0.149 40 0 biogenic,in-vitro GBABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4c[nH]c[nH+]4)C3)C2=O)o1 ZINC000225398764 206046031 /nfs/dbraw/zinc/04/60/31/206046031.db2.gz DHJJPONWHWUBOE-ZBFHGGJFSA-N 1 2 385.424 -0.130 40 0 biogenic,in-vitro GBABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(Cc4c[nH+]c[nH]4)C3)C2=O)o1 ZINC000225398764 206046027 /nfs/dbraw/zinc/04/60/27/206046027.db2.gz DHJJPONWHWUBOE-ZBFHGGJFSA-N 1 2 385.424 -0.130 40 0 biogenic,in-vitro GBABLO C[NH+](C)Cc1cn(C[C@H]2C[C@@H](NC(=O)COc3ccccc3)[C@H](O)[C@@H]2O)nn1 ZINC000225509785 560042358 /nfs/dbraw/zinc/04/23/58/560042358.db2.gz WACUEEVUQSQUCV-AZFSHXRASA-N 1 2 389.456 -0.355 40 0 biogenic,in-vitro GBABLO C[NH+](C)Cc1cn(C[C@H]2C[C@@H](NS(=O)(=O)c3ccccc3)[C@H](O)[C@@H]2O)nn1 ZINC000225510082 560042366 /nfs/dbraw/zinc/04/23/66/560042366.db2.gz NMSROQBOFKXXMY-YYQUZTFQSA-N 1 2 395.485 -0.572 40 0 biogenic,in-vitro GBABLO C[NH+](C)Cc1cn(C[C@H]2C[C@@H](NC(=O)Nc3cccnc3)[C@H](O)[C@@H]2O)nn1 ZINC000225510431 560042348 /nfs/dbraw/zinc/04/23/48/560042348.db2.gz HDPGQAJPTMGPQG-MPESAESLSA-N 1 2 375.433 -0.333 40 0 biogenic,in-vitro GBABLO CCCNC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3[nH+]ccn3C)O[C@@H]2[C@@H]1O ZINC000225520833 560042189 /nfs/dbraw/zinc/04/21/89/560042189.db2.gz ISIZNGRAWNXCBR-ZJVPAZETSA-N 1 2 395.460 -0.579 40 0 biogenic,in-vitro GBABLO COc1cc(N2CCOCC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902817 570632123 /nfs/dbraw/zinc/63/21/23/570632123.db2.gz ONYBMRBAEKUQIX-UHFFFAOYSA-N 1 2 382.490 -0.060 40 0 GBABLO CN(C)c1cc(N2CC3(C2)CN(C)[C@H](C(=O)N2CCCCO2)CO3)[nH+]cn1 ZINC000248111347 209029000 /nfs/dbraw/zinc/02/90/00/209029000.db2.gz KHBSSQYBYVZTMF-AWEZNQCLSA-N 1 2 376.461 -0.014 40 0 GBABLO CN(C)c1cc(N2CC3(C2)CN(C)[C@H](C(=O)N2CCCCO2)CO3)nc[nH+]1 ZINC000248111347 209028998 /nfs/dbraw/zinc/02/89/98/209028998.db2.gz KHBSSQYBYVZTMF-AWEZNQCLSA-N 1 2 376.461 -0.014 40 0 GBABLO CN(C)c1cc(N2CC3(C2)CN(C)[C@@H](C(=O)N2CCCCO2)CO3)[nH+]cn1 ZINC000248111348 206134974 /nfs/dbraw/zinc/13/49/74/206134974.db2.gz KHBSSQYBYVZTMF-CQSZACIVSA-N 1 2 376.461 -0.014 40 0 GBABLO CN(C)c1cc(N2CC3(C2)CN(C)[C@@H](C(=O)N2CCCCO2)CO3)nc[nH+]1 ZINC000248111348 206134968 /nfs/dbraw/zinc/13/49/68/206134968.db2.gz KHBSSQYBYVZTMF-CQSZACIVSA-N 1 2 376.461 -0.014 40 0 GBABLO CNS(=O)(=O)c1ccc(CCC(=O)N2CC[N@@H+](C)[C@H](C(=O)N(C)C)C2)cc1 ZINC000257202017 570760006 /nfs/dbraw/zinc/76/00/06/570760006.db2.gz AKDMDLVNNIBVOB-INIZCTEOSA-N 1 2 396.513 -0.242 40 0 GBABLO CNS(=O)(=O)c1ccc(CCC(=O)N2CC[N@H+](C)[C@H](C(=O)N(C)C)C2)cc1 ZINC000257202017 570760001 /nfs/dbraw/zinc/76/00/01/570760001.db2.gz AKDMDLVNNIBVOB-INIZCTEOSA-N 1 2 396.513 -0.242 40 0 GBABLO CNS(=O)(=O)c1ccc(CCC(=O)N2CC[N@@H+](C)[C@@H](C(=O)N(C)C)C2)cc1 ZINC000257202018 206158273 /nfs/dbraw/zinc/15/82/73/206158273.db2.gz AKDMDLVNNIBVOB-MRXNPFEDSA-N 1 2 396.513 -0.242 40 0 GBABLO CNS(=O)(=O)c1ccc(CCC(=O)N2CC[N@H+](C)[C@@H](C(=O)N(C)C)C2)cc1 ZINC000257202018 206158272 /nfs/dbraw/zinc/15/82/72/206158272.db2.gz AKDMDLVNNIBVOB-MRXNPFEDSA-N 1 2 396.513 -0.242 40 0 GBABLO CNC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC[NH2+]1 ZINC000257206459 212004024 /nfs/dbraw/zinc/00/40/24/212004024.db2.gz BDNNKMKWQVHLHP-HNNXBMFYSA-N 1 2 380.470 -0.223 40 0 GBABLO CNC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC[NH2+]1 ZINC000257206460 570760760 /nfs/dbraw/zinc/76/07/60/570760760.db2.gz BDNNKMKWQVHLHP-OAHLLOKOSA-N 1 2 380.470 -0.223 40 0 GBABLO CN(C(=O)Cn1ncc2ccccc2c1=O)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257213231 206159438 /nfs/dbraw/zinc/15/94/38/206159438.db2.gz CGRSSIBLYPWCQK-GPMSIDNRSA-N 1 2 399.451 -0.821 40 0 GBABLO CN(C(=O)Cn1ncc2ccccc2c1=O)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257213231 206159436 /nfs/dbraw/zinc/15/94/36/206159436.db2.gz CGRSSIBLYPWCQK-GPMSIDNRSA-N 1 2 399.451 -0.821 40 0 GBABLO O=C(CN1Cc2ccccc2C1=O)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257214010 212002836 /nfs/dbraw/zinc/00/28/36/212002836.db2.gz CKCVIHVHOPYMCL-LMMKCTJWSA-N 1 2 389.452 -0.703 40 0 GBABLO CN(CC1(O)CCN(c2cccc3[nH+]ccn32)CC1)C(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC000257224917 570763508 /nfs/dbraw/zinc/76/35/08/570763508.db2.gz FDYAJXYZHJWIOH-ZDUSSCGKSA-N 1 2 375.429 -0.074 40 0 GBABLO Cc1nc(C(=O)N(C)[C@@H]2CC[C@@H]([N@H+]3CCNC(=O)C3)[C@@H]2O)nn1-c1ccccc1 ZINC000257244721 570769678 /nfs/dbraw/zinc/76/96/78/570769678.db2.gz IMNASGCNNRXZJO-JFIYKMOQSA-N 1 2 398.467 -0.029 40 0 GBABLO Cc1nc(C(=O)N(C)[C@@H]2CC[C@@H]([N@@H+]3CCNC(=O)C3)[C@@H]2O)nn1-c1ccccc1 ZINC000257244721 570769673 /nfs/dbraw/zinc/76/96/73/570769673.db2.gz IMNASGCNNRXZJO-JFIYKMOQSA-N 1 2 398.467 -0.029 40 0 GBABLO Cc1c(C(=O)N(C)[C@@H]2CC[C@@H]([N@H+]3CCNC(=O)C3)[C@@H]2O)nnn1-c1ccccc1 ZINC000257260143 206167459 /nfs/dbraw/zinc/16/74/59/206167459.db2.gz LBLZXRQRYUDEGK-GPMSIDNRSA-N 1 2 398.467 -0.029 40 0 GBABLO Cc1c(C(=O)N(C)[C@@H]2CC[C@@H]([N@@H+]3CCNC(=O)C3)[C@@H]2O)nnn1-c1ccccc1 ZINC000257260143 206167455 /nfs/dbraw/zinc/16/74/55/206167455.db2.gz LBLZXRQRYUDEGK-GPMSIDNRSA-N 1 2 398.467 -0.029 40 0 GBABLO CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCCN3CCCC3=O)cc2)C[C@H]1O ZINC000257261186 570487989 /nfs/dbraw/zinc/48/79/89/570487989.db2.gz LGCHPVVMTBXXHC-IAGOWNOFSA-N 1 2 397.497 -0.218 40 0 GBABLO CS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccc(OCCN3CCCC3=O)cc2)C[C@H]1O ZINC000257261186 570487983 /nfs/dbraw/zinc/48/79/83/570487983.db2.gz LGCHPVVMTBXXHC-IAGOWNOFSA-N 1 2 397.497 -0.218 40 0 GBABLO CNC(=O)[C@@H]1CN(C(=O)CNS(C)(=O)=O)CC[N@H+]1CCc1ccccc1 ZINC000257263665 212012524 /nfs/dbraw/zinc/01/25/24/212012524.db2.gz LQYHHBNEWYBUCX-HNNXBMFYSA-N 1 2 382.486 -0.963 40 0 GBABLO CNC(=O)[C@@H]1CN(C(=O)CNS(C)(=O)=O)CC[N@@H+]1CCc1ccccc1 ZINC000257263665 212012521 /nfs/dbraw/zinc/01/25/21/212012521.db2.gz LQYHHBNEWYBUCX-HNNXBMFYSA-N 1 2 382.486 -0.963 40 0 GBABLO CNC(=O)[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[N@H+]1CCc1ccccc1 ZINC000257263666 209064568 /nfs/dbraw/zinc/06/45/68/209064568.db2.gz LQYHHBNEWYBUCX-OAHLLOKOSA-N 1 2 382.486 -0.963 40 0 GBABLO CNC(=O)[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[N@@H+]1CCc1ccccc1 ZINC000257263666 209064564 /nfs/dbraw/zinc/06/45/64/209064564.db2.gz LQYHHBNEWYBUCX-OAHLLOKOSA-N 1 2 382.486 -0.963 40 0 GBABLO CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)N3CCCC3)cc2)C[C@H]1O ZINC000257266679 570488747 /nfs/dbraw/zinc/48/87/47/570488747.db2.gz MEAMCHSROVTNEY-IAGOWNOFSA-N 1 2 397.497 -0.218 40 0 GBABLO CS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC(=O)N3CCCC3)cc2)C[C@H]1O ZINC000257266679 570488745 /nfs/dbraw/zinc/48/87/45/570488745.db2.gz MEAMCHSROVTNEY-IAGOWNOFSA-N 1 2 397.497 -0.218 40 0 GBABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[N@H+]1CCc1ccccc1 ZINC000257276808 209066773 /nfs/dbraw/zinc/06/67/73/209066773.db2.gz NVEZFXRWHMOYRC-KRWDZBQOSA-N 1 2 383.452 -0.105 40 0 GBABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1CCc1ccccc1 ZINC000257276808 209066768 /nfs/dbraw/zinc/06/67/68/209066768.db2.gz NVEZFXRWHMOYRC-KRWDZBQOSA-N 1 2 383.452 -0.105 40 0 GBABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[N@H+]1CCc1ccccc1 ZINC000257276809 570774498 /nfs/dbraw/zinc/77/44/98/570774498.db2.gz NVEZFXRWHMOYRC-QGZVFWFLSA-N 1 2 383.452 -0.105 40 0 GBABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1CCc1ccccc1 ZINC000257276809 570774495 /nfs/dbraw/zinc/77/44/95/570774495.db2.gz NVEZFXRWHMOYRC-QGZVFWFLSA-N 1 2 383.452 -0.105 40 0 GBABLO O=C(CNC(=O)c1ccccc1)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257285733 570776030 /nfs/dbraw/zinc/77/60/30/570776030.db2.gz PIOCYXOVIRTINF-NUJGCVRESA-N 1 2 377.441 -0.929 40 0 GBABLO O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257293488 212017615 /nfs/dbraw/zinc/01/76/15/212017615.db2.gz QPQVHFCZKDDGTP-RKVPGOIHSA-N 1 2 391.424 -0.751 40 0 GBABLO Cc1ccc(=O)n(CC(=O)N2CC[N@@H+](CCc3ccccc3)[C@H](C(N)=O)C2)n1 ZINC000257318847 209074502 /nfs/dbraw/zinc/07/45/02/209074502.db2.gz VPQFAVSQCCWLJF-KRWDZBQOSA-N 1 2 383.452 -0.207 40 0 GBABLO Cc1ccc(=O)n(CC(=O)N2CC[N@H+](CCc3ccccc3)[C@H](C(N)=O)C2)n1 ZINC000257318847 209074498 /nfs/dbraw/zinc/07/44/98/209074498.db2.gz VPQFAVSQCCWLJF-KRWDZBQOSA-N 1 2 383.452 -0.207 40 0 GBABLO Cc1ccc(=O)n(CC(=O)N2CC[N@@H+](CCc3ccccc3)[C@@H](C(N)=O)C2)n1 ZINC000257318848 570780993 /nfs/dbraw/zinc/78/09/93/570780993.db2.gz VPQFAVSQCCWLJF-QGZVFWFLSA-N 1 2 383.452 -0.207 40 0 GBABLO Cc1ccc(=O)n(CC(=O)N2CC[N@H+](CCc3ccccc3)[C@@H](C(N)=O)C2)n1 ZINC000257318848 570780990 /nfs/dbraw/zinc/78/09/90/570780990.db2.gz VPQFAVSQCCWLJF-QGZVFWFLSA-N 1 2 383.452 -0.207 40 0 GBABLO CC(=O)NCCCCCC(=O)N1CCOC[C@@]2(Cc3c(nc(N)[nH+]c3N)O2)C1 ZINC000257326803 570781868 /nfs/dbraw/zinc/78/18/68/570781868.db2.gz WYQIYEOUTNCAJL-GOSISDBHSA-N 1 2 392.460 -0.130 40 0 GBABLO CC(=O)NCCCCCC(=O)N1CCOC[C@@]2(Cc3c([nH+]c(N)nc3N)O2)C1 ZINC000257326803 570781864 /nfs/dbraw/zinc/78/18/64/570781864.db2.gz WYQIYEOUTNCAJL-GOSISDBHSA-N 1 2 392.460 -0.130 40 0 GBABLO CC(=O)NCCCCCC(=O)N1CCOC[C@]2(Cc3c(nc(N)[nH+]c3N)O2)C1 ZINC000257326804 209076626 /nfs/dbraw/zinc/07/66/26/209076626.db2.gz WYQIYEOUTNCAJL-SFHVURJKSA-N 1 2 392.460 -0.130 40 0 GBABLO CC(=O)NCCCCCC(=O)N1CCOC[C@]2(Cc3c([nH+]c(N)nc3N)O2)C1 ZINC000257326804 209076624 /nfs/dbraw/zinc/07/66/24/209076624.db2.gz WYQIYEOUTNCAJL-SFHVURJKSA-N 1 2 392.460 -0.130 40 0 GBABLO CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@H]1O ZINC000257337147 570486898 /nfs/dbraw/zinc/48/68/98/570486898.db2.gz YROUTBHEEHUTGE-QZTJIDSGSA-N 1 2 399.513 -0.508 40 0 GBABLO CS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@H]1O ZINC000257337147 570486893 /nfs/dbraw/zinc/48/68/93/570486893.db2.gz YROUTBHEEHUTGE-QZTJIDSGSA-N 1 2 399.513 -0.508 40 0 GBABLO Cn1cc[nH+]c1CN1CCc2nc3n(c(=O)c2C1)CCN(S(C)(=O)=O)CC3 ZINC000306131618 212049189 /nfs/dbraw/zinc/04/91/89/212049189.db2.gz KKDUOKRDPTUEMX-UHFFFAOYSA-N 1 2 392.485 -0.647 40 0 GBABLO Cn1ccnc1C[N@H+]1CCc2nc3n(c(=O)c2C1)CCN(S(C)(=O)=O)CC3 ZINC000306131618 212049186 /nfs/dbraw/zinc/04/91/86/212049186.db2.gz KKDUOKRDPTUEMX-UHFFFAOYSA-N 1 2 392.485 -0.647 40 0 GBABLO Cn1ccnc1C[N@@H+]1CCc2nc3n(c(=O)c2C1)CCN(S(C)(=O)=O)CC3 ZINC000306131618 212049184 /nfs/dbraw/zinc/04/91/84/212049184.db2.gz KKDUOKRDPTUEMX-UHFFFAOYSA-N 1 2 392.485 -0.647 40 0 GBABLO CC(=O)N1CC[NH+](C[C@@H]2OC[C@H](NS(=O)(=O)c3ccccc3)[C@H]2O)CC1 ZINC000514288490 560034755 /nfs/dbraw/zinc/03/47/55/560034755.db2.gz GBTDKTATCHXDIN-YESZJQIVSA-N 1 2 383.470 -0.743 40 0 biogenic,in-vitro GBABLO CC(=O)N1CC[NH+](C[C@@H]2OC[C@H](NC(=O)COc3ccccc3)[C@H]2O)CC1 ZINC000514288527 560034855 /nfs/dbraw/zinc/03/48/55/560034855.db2.gz HHJOLBLCQWEXLO-JENIJYKNSA-N 1 2 377.441 -0.526 40 0 biogenic,in-vitro GBABLO COc1ccc(C(=O)N[C@H]2CO[C@@H](C[NH+]3CCN(C(C)=O)CC3)[C@@H]2O)cc1 ZINC000514289022 560033470 /nfs/dbraw/zinc/03/34/70/560033470.db2.gz MCWSQIROAKQOAL-OKZBNKHCSA-N 1 2 377.441 -0.283 40 0 biogenic,in-vitro GBABLO CC(=O)N1CC[NH+](C[C@@H]2OC[C@H](NS(=O)(=O)c3ccsc3)[C@H]2O)CC1 ZINC000514289104 530107757 /nfs/dbraw/zinc/10/77/57/530107757.db2.gz OUOOVYFGJGJDSU-SOUVJXGZSA-N 1 2 389.499 -0.681 40 0 biogenic,in-vitro GBABLO CC(=O)N1CCC(N2CC3(C2)CN(C(=O)C(C)C)C[C@@H]2C[C@@H](O)C[N@H+]23)CC1 ZINC000514290218 560030417 /nfs/dbraw/zinc/03/04/17/560030417.db2.gz VFXUFXCTJUCTOX-ZWKOTPCHSA-N 1 2 378.517 -0.015 40 0 biogenic,in-vitro GBABLO CC(=O)N1CCC(N2CC3(C2)CN(C(=O)C(C)C)C[C@@H]2C[C@@H](O)C[N@@H+]23)CC1 ZINC000514290218 560030416 /nfs/dbraw/zinc/03/04/16/560030416.db2.gz VFXUFXCTJUCTOX-ZWKOTPCHSA-N 1 2 378.517 -0.015 40 0 biogenic,in-vitro GBABLO CC(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccc(S(C)(=O)=O)cc3)C2)C1 ZINC000514290293 560029688 /nfs/dbraw/zinc/02/96/88/560029688.db2.gz WLLFVWKRGHJLJP-DLBZAZTESA-N 1 2 393.509 -0.058 40 0 biogenic,in-vitro GBABLO CC(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccc(S(C)(=O)=O)cc3)C2)C1 ZINC000514290293 560029687 /nfs/dbraw/zinc/02/96/87/560029687.db2.gz WLLFVWKRGHJLJP-DLBZAZTESA-N 1 2 393.509 -0.058 40 0 biogenic,in-vitro GBABLO CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3nccs3)C2)C1 ZINC000514290306 560029608 /nfs/dbraw/zinc/02/96/08/560029608.db2.gz WZUZBSXKFCPWSW-HUUCEWRRSA-N 1 2 393.513 -0.499 40 0 biogenic,in-vitro GBABLO CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3nccs3)C2)C1 ZINC000514290306 560029606 /nfs/dbraw/zinc/02/96/06/560029606.db2.gz WZUZBSXKFCPWSW-HUUCEWRRSA-N 1 2 393.513 -0.499 40 0 biogenic,in-vitro GBABLO CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3nccs3)C2)C1 ZINC000514290308 560029649 /nfs/dbraw/zinc/02/96/49/560029649.db2.gz WZUZBSXKFCPWSW-LSDHHAIUSA-N 1 2 393.513 -0.499 40 0 biogenic,in-vitro GBABLO CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3nccs3)C2)C1 ZINC000514290308 560029646 /nfs/dbraw/zinc/02/96/46/560029646.db2.gz WZUZBSXKFCPWSW-LSDHHAIUSA-N 1 2 393.513 -0.499 40 0 biogenic,in-vitro GBABLO CC(=O)NCCC(=O)N1CC2(C1)C[N@@H+](Cc1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290329 560029759 /nfs/dbraw/zinc/02/97/59/560029759.db2.gz XKLGHQUXIAAPTC-QZTJIDSGSA-N 1 2 387.484 -0.560 40 0 biogenic,in-vitro GBABLO CC(=O)NCCC(=O)N1CC2(C1)C[N@H+](Cc1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290329 560029757 /nfs/dbraw/zinc/02/97/57/560029757.db2.gz XKLGHQUXIAAPTC-QZTJIDSGSA-N 1 2 387.484 -0.560 40 0 biogenic,in-vitro GBABLO CC(=O)NCCC(=O)N1CC2(C1)C[N@@H+](Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290330 560029873 /nfs/dbraw/zinc/02/98/73/560029873.db2.gz XKLGHQUXIAAPTC-ZWKOTPCHSA-N 1 2 387.484 -0.560 40 0 biogenic,in-vitro GBABLO CC(=O)NCCC(=O)N1CC2(C1)C[N@H+](Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290330 560029871 /nfs/dbraw/zinc/02/98/71/560029871.db2.gz XKLGHQUXIAAPTC-ZWKOTPCHSA-N 1 2 387.484 -0.560 40 0 biogenic,in-vitro GBABLO CN(C)C(=O)C[N@H+]1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 ZINC000585101539 570926892 /nfs/dbraw/zinc/92/68/92/570926892.db2.gz XNVDEKHJZYSGCE-IBGZPJMESA-N 1 2 394.447 -0.219 40 0 GBABLO CN(C)C(=O)C[N@@H+]1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 ZINC000585101539 570926890 /nfs/dbraw/zinc/92/68/90/570926890.db2.gz XNVDEKHJZYSGCE-IBGZPJMESA-N 1 2 394.447 -0.219 40 0 GBABLO CN(C)C(=O)C[N@H+]1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 ZINC000585101540 570926846 /nfs/dbraw/zinc/92/68/46/570926846.db2.gz XNVDEKHJZYSGCE-LJQANCHMSA-N 1 2 394.447 -0.219 40 0 GBABLO CN(C)C(=O)C[N@@H+]1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 ZINC000585101540 570926843 /nfs/dbraw/zinc/92/68/43/570926843.db2.gz XNVDEKHJZYSGCE-LJQANCHMSA-N 1 2 394.447 -0.219 40 0 GBABLO Cc1cc(C[N@H+]2C[C@@H](C(=O)NC3CS(=O)(=O)C3)C3(C2)CCOCC3)[nH]n1 ZINC000585101896 570927452 /nfs/dbraw/zinc/92/74/52/570927452.db2.gz IOEZIKLCONIANF-HNNXBMFYSA-N 1 2 382.486 -0.140 40 0 GBABLO Cc1cc(C[N@@H+]2C[C@@H](C(=O)NC3CS(=O)(=O)C3)C3(C2)CCOCC3)[nH]n1 ZINC000585101896 570927449 /nfs/dbraw/zinc/92/74/49/570927449.db2.gz IOEZIKLCONIANF-HNNXBMFYSA-N 1 2 382.486 -0.140 40 0 GBABLO Cc1cc(C[N@H+]2C[C@H](C(=O)NC3CS(=O)(=O)C3)C3(C2)CCOCC3)[nH]n1 ZINC000585101898 570927331 /nfs/dbraw/zinc/92/73/31/570927331.db2.gz IOEZIKLCONIANF-OAHLLOKOSA-N 1 2 382.486 -0.140 40 0 GBABLO Cc1cc(C[N@@H+]2C[C@H](C(=O)NC3CS(=O)(=O)C3)C3(C2)CCOCC3)[nH]n1 ZINC000585101898 570927328 /nfs/dbraw/zinc/92/73/28/570927328.db2.gz IOEZIKLCONIANF-OAHLLOKOSA-N 1 2 382.486 -0.140 40 0 GBABLO Cn1ncnc1C(=O)N1CCC2(CO[C@H](C[N@H+]3CCN(C)C(=O)C3)C2)CC1 ZINC000585104526 570932815 /nfs/dbraw/zinc/93/28/15/570932815.db2.gz PWZHNCIVBQNROU-AWEZNQCLSA-N 1 2 376.461 -0.400 40 0 GBABLO Cn1ncnc1C(=O)N1CCC2(CO[C@H](C[N@@H+]3CCN(C)C(=O)C3)C2)CC1 ZINC000585104526 570932813 /nfs/dbraw/zinc/93/28/13/570932813.db2.gz PWZHNCIVBQNROU-AWEZNQCLSA-N 1 2 376.461 -0.400 40 0 GBABLO Cn1ncnc1C(=O)N1CCC2(CO[C@@H](C[N@H+]3CCN(C)C(=O)C3)C2)CC1 ZINC000585104533 570933048 /nfs/dbraw/zinc/93/30/48/570933048.db2.gz PWZHNCIVBQNROU-CQSZACIVSA-N 1 2 376.461 -0.400 40 0 GBABLO Cn1ncnc1C(=O)N1CCC2(CO[C@@H](C[N@@H+]3CCN(C)C(=O)C3)C2)CC1 ZINC000585104533 570933044 /nfs/dbraw/zinc/93/30/44/570933044.db2.gz PWZHNCIVBQNROU-CQSZACIVSA-N 1 2 376.461 -0.400 40 0 GBABLO Cn1cnc(C(=O)N2CC[C@H]3O[C@@H](COCC[NH+]4CCOCC4)CC[C@H]32)n1 ZINC000585108431 570940226 /nfs/dbraw/zinc/94/02/26/570940226.db2.gz ITVAAHFHAPZBOE-BZUAXINKSA-N 1 2 379.461 -0.074 40 0 GBABLO C[N@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(C(=O)[C@@H]2CCCO2)C3)C1 ZINC000585111458 570941979 /nfs/dbraw/zinc/94/19/79/570941979.db2.gz AXYUTOQLAWWATL-DOMZBBRYSA-N 1 2 378.429 -0.201 40 0 GBABLO C[N@@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(C(=O)[C@@H]2CCCO2)C3)C1 ZINC000585111458 570941976 /nfs/dbraw/zinc/94/19/76/570941976.db2.gz AXYUTOQLAWWATL-DOMZBBRYSA-N 1 2 378.429 -0.201 40 0 GBABLO C[N@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(C(=O)[C@H]2CCCO2)C3)C1 ZINC000585111459 570941872 /nfs/dbraw/zinc/94/18/72/570941872.db2.gz AXYUTOQLAWWATL-IUODEOHRSA-N 1 2 378.429 -0.201 40 0 GBABLO C[N@@H+]1CCO[C@H](CNC(=O)c2nc3c(o2)CCN(C(=O)[C@H]2CCCO2)C3)C1 ZINC000585111459 570941870 /nfs/dbraw/zinc/94/18/70/570941870.db2.gz AXYUTOQLAWWATL-IUODEOHRSA-N 1 2 378.429 -0.201 40 0 GBABLO C[N@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(C(=O)[C@H]2CCCO2)C3)C1 ZINC000585111460 570941919 /nfs/dbraw/zinc/94/19/19/570941919.db2.gz AXYUTOQLAWWATL-SWLSCSKDSA-N 1 2 378.429 -0.201 40 0 GBABLO C[N@@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(C(=O)[C@H]2CCCO2)C3)C1 ZINC000585111460 570941917 /nfs/dbraw/zinc/94/19/17/570941917.db2.gz AXYUTOQLAWWATL-SWLSCSKDSA-N 1 2 378.429 -0.201 40 0 GBABLO C[N@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(C(=O)[C@@H]2CCCO2)C3)C1 ZINC000585111461 570941937 /nfs/dbraw/zinc/94/19/37/570941937.db2.gz AXYUTOQLAWWATL-WFASDCNBSA-N 1 2 378.429 -0.201 40 0 GBABLO C[N@@H+]1CCO[C@@H](CNC(=O)c2nc3c(o2)CCN(C(=O)[C@@H]2CCCO2)C3)C1 ZINC000585111461 570941935 /nfs/dbraw/zinc/94/19/35/570941935.db2.gz AXYUTOQLAWWATL-WFASDCNBSA-N 1 2 378.429 -0.201 40 0 GBABLO O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[N@H+]2CCNC(=O)C2)C1 ZINC000585283087 570251294 /nfs/dbraw/zinc/25/12/94/570251294.db2.gz BNSISTOLUIQFNO-MAUKXSAKSA-N 1 2 381.860 -0.361 40 0 GBABLO O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[N@@H+]2CCNC(=O)C2)C1 ZINC000585283087 570251290 /nfs/dbraw/zinc/25/12/90/570251290.db2.gz BNSISTOLUIQFNO-MAUKXSAKSA-N 1 2 381.860 -0.361 40 0 GBABLO Cc1nn(C)c(C)c1/C=C/C(=O)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000585290131 570257688 /nfs/dbraw/zinc/25/76/88/570257688.db2.gz SXJNSFQXQHUSSJ-VFPIDIHMSA-N 1 2 378.473 -0.295 40 0 GBABLO CS(=O)(=O)N1CC[NH+](C[C@]2(O)CN(C(=O)c3ccccc3)CC[C@H]2O)CC1 ZINC000585290616 570258919 /nfs/dbraw/zinc/25/89/19/570258919.db2.gz RDXANHICJMBUDH-AEFFLSMTSA-N 1 2 397.497 -0.798 40 0 GBABLO Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000585290658 570258914 /nfs/dbraw/zinc/25/89/14/570258914.db2.gz ZOPVQGILZLGGKI-UKBONUAOSA-N 1 2 375.473 -0.120 40 0 GBABLO Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000585290658 570258913 /nfs/dbraw/zinc/25/89/13/570258913.db2.gz ZOPVQGILZLGGKI-UKBONUAOSA-N 1 2 375.473 -0.120 40 0 GBABLO CC(=O)N1CC[NH+](C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)CC1 ZINC000585291036 570259396 /nfs/dbraw/zinc/25/93/96/570259396.db2.gz ICRRDEIFGMETNV-QUCCMNQESA-N 1 2 375.469 -0.283 40 0 GBABLO CC(=O)N1CC[NH+](C[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)CC1 ZINC000585291231 570259741 /nfs/dbraw/zinc/25/97/41/570259741.db2.gz MAPUHNRRLCGNKV-MJGOQNOKSA-N 1 2 395.887 -0.019 40 0 GBABLO CC(=O)N[C@H]1CC2(CCN(C(=O)/C=C/C[NH+]3CCOCC3)CC2)OC[C@]1(C)O ZINC000585291326 570259848 /nfs/dbraw/zinc/25/98/48/570259848.db2.gz PARBGWWOWRSEEJ-PABLAQFASA-N 1 2 395.500 -0.088 40 0 GBABLO Cc1cn([C@@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000585291938 570260354 /nfs/dbraw/zinc/26/03/54/570260354.db2.gz SWQUTYMYSXEAMQ-QSYSNMATSA-N 1 2 392.456 -0.330 40 0 GBABLO CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000585292013 570261069 /nfs/dbraw/zinc/26/10/69/570261069.db2.gz VKOXNDJLFULBBX-RCFKDXHZSA-N 1 2 380.489 -0.953 40 0 GBABLO CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000585292013 570261065 /nfs/dbraw/zinc/26/10/65/570261065.db2.gz VKOXNDJLFULBBX-RCFKDXHZSA-N 1 2 380.489 -0.953 40 0 GBABLO