smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccc(F)c3)C2)C(=O)N1Cc1ccccc1F ZINC000225390372 291328806 /nfs/dbraw/zinc/32/88/06/291328806.db2.gz OKOYLOIRXLFNEW-QUCCMNQESA-N 1 2 427.451 1.523 40 0 biogenic,in-vitro IDABLO CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1cc(Cl)c(Cl)cc1Cl ZINC000408615232 193981313 /nfs/dbraw/zinc/98/13/13/193981313.db2.gz NSSUFHTUXVOYFL-UHFFFAOYSA-N 1 2 444.768 1.861 40 0 IDABLO Cc1nc2sccn2c(=O)c1S(=O)(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000009116891 132304221 /nfs/dbraw/zinc/30/42/21/132304221.db2.gz CFLYKMDEDGTFPS-UHFFFAOYSA-N 1 2 447.586 1.555 40 0 IDABLO COc1cc2c(cc1C[N@@H+]1CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C1)OCO2 ZINC000012184680 522999247 /nfs/dbraw/zinc/99/92/47/522999247.db2.gz MZNBBBKPCWGQGY-OKILXGFUSA-N 1 2 428.489 1.679 40 0 IDABLO COc1cc2c(cc1C[N@H+]1CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C1)OCO2 ZINC000012184680 522999255 /nfs/dbraw/zinc/99/92/55/522999255.db2.gz MZNBBBKPCWGQGY-OKILXGFUSA-N 1 2 428.489 1.679 40 0 IDABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@@H]3C(=O)NCC[N@H+]3C)cc2n1 ZINC000012230601 523780536 /nfs/dbraw/zinc/78/05/36/523780536.db2.gz DVHRGPYCINQRHW-HUUCEWRRSA-N 1 2 438.454 1.794 40 0 IDABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@@H]3C(=O)NCC[N@@H+]3C)cc2n1 ZINC000012230601 523780544 /nfs/dbraw/zinc/78/05/44/523780544.db2.gz DVHRGPYCINQRHW-HUUCEWRRSA-N 1 2 438.454 1.794 40 0 IDABLO COc1ccccc1CN(CC[NH+]1CCOCC1)C(=O)CN1C(=O)COc2ccccc21 ZINC000035313824 524439800 /nfs/dbraw/zinc/43/98/00/524439800.db2.gz YFGVMPIXGFSSOP-UHFFFAOYSA-N 1 2 439.512 1.782 40 0 IDABLO O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCC[NH+]1CCOCC1 ZINC000408587739 555938255 /nfs/dbraw/zinc/93/82/55/555938255.db2.gz CAYYXOKAMOEKKS-UHFFFAOYSA-N 1 2 447.557 1.035 40 0 IDABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCC[NH+]1CCOCC1 ZINC000408589415 555940410 /nfs/dbraw/zinc/94/04/10/555940410.db2.gz FNUMFJHNMGFLAZ-UHFFFAOYSA-N 1 2 437.493 1.454 40 0 IDABLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000408591753 555952572 /nfs/dbraw/zinc/95/25/72/555952572.db2.gz KENQXOFKOUDPRR-UHFFFAOYSA-N 1 2 445.969 1.198 40 0 IDABLO Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)cc2)c1 ZINC000408593112 555954857 /nfs/dbraw/zinc/95/48/57/555954857.db2.gz MMAAVYQYTQMDCP-UHFFFAOYSA-N 1 2 447.557 1.931 40 0 IDABLO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCCn3cc[nH+]c3)C2)c1 ZINC000408597817 555955958 /nfs/dbraw/zinc/95/59/58/555955958.db2.gz YMCXEXFQDDKPDC-INIZCTEOSA-N 1 2 436.534 1.508 40 0 IDABLO Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCC[NH+]1CCOCC1 ZINC000408597999 555956269 /nfs/dbraw/zinc/95/62/69/555956269.db2.gz YPKUNXDGVUZAES-UHFFFAOYSA-N 1 2 439.578 1.433 40 0 IDABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCCCC1)OCO3 ZINC000006445236 556088204 /nfs/dbraw/zinc/08/82/04/556088204.db2.gz ZRNVWJMCEYFMAK-MGPUTAFESA-N 1 2 438.488 1.998 40 0 IDABLO COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000014663443 556431168 /nfs/dbraw/zinc/43/11/68/556431168.db2.gz WIXSLNTWDOICJI-UHFFFAOYSA-N 1 2 431.514 1.970 40 0 IDABLO CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000016026195 556576606 /nfs/dbraw/zinc/57/66/06/556576606.db2.gz XFLBGMAQIFFKGE-UHFFFAOYSA-N 1 2 442.585 1.581 40 0 IDABLO COc1ccc([C@H]2CC(=O)c3cnc4nc(NCC[NH+]5CCOCC5)[nH]c(=O)c4c3C2)cc1 ZINC000038829507 556620794 /nfs/dbraw/zinc/62/07/94/556620794.db2.gz GHLJXPNUXQYWHH-MRXNPFEDSA-N 1 2 449.511 1.984 40 0 IDABLO COC(=O)c1cccc(C[N@@H+]2C[C@H]3C[C@@H](O)CN3C3(CN(C(=O)Cc4ccccc4)C3)C2)c1 ZINC000514290025 556625842 /nfs/dbraw/zinc/62/58/42/556625842.db2.gz RLGDWZHBNKRQTR-DHIUTWEWSA-N 1 2 449.551 1.548 40 0 biogenic,in-vitro IDABLO COC(=O)c1cccc(C[N@H+]2C[C@H]3C[C@@H](O)CN3C3(CN(C(=O)Cc4ccccc4)C3)C2)c1 ZINC000514290025 556625844 /nfs/dbraw/zinc/62/58/44/556625844.db2.gz RLGDWZHBNKRQTR-DHIUTWEWSA-N 1 2 449.551 1.548 40 0 biogenic,in-vitro IDABLO CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000137293058 556695551 /nfs/dbraw/zinc/69/55/51/556695551.db2.gz TUOJFIJEKIFMSS-UHFFFAOYSA-N 1 2 439.559 1.822 40 0 IDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)c5cnn(C)c5)C4)nc3C2)cc1 ZINC000019290537 556730566 /nfs/dbraw/zinc/73/05/66/556730566.db2.gz IQODIUPZDCQOQW-QGZVFWFLSA-N 1 2 448.527 1.700 40 0 IDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)c5cnn(C)c5)C4)nc3C2)cc1 ZINC000019290537 556730569 /nfs/dbraw/zinc/73/05/69/556730569.db2.gz IQODIUPZDCQOQW-QGZVFWFLSA-N 1 2 448.527 1.700 40 0 IDABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc12 ZINC000057640327 556748391 /nfs/dbraw/zinc/74/83/91/556748391.db2.gz KWCPDZKWXUODDC-SFHVURJKSA-N 1 2 426.521 1.695 40 0 IDABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc12 ZINC000057640327 556748395 /nfs/dbraw/zinc/74/83/95/556748395.db2.gz KWCPDZKWXUODDC-SFHVURJKSA-N 1 2 426.521 1.695 40 0 IDABLO CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2ccc(C[NH+]3CCOCC3)o2)C1 ZINC000019573232 556813496 /nfs/dbraw/zinc/81/34/96/556813496.db2.gz YOYIKOVVUSXDTL-AWEZNQCLSA-N 1 2 426.564 1.746 40 0 IDABLO COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCCCCC1 ZINC000006239211 556830656 /nfs/dbraw/zinc/83/06/56/556830656.db2.gz ISXQUFNLFFDDSL-IBGZPJMESA-N 1 2 426.477 1.855 40 0 IDABLO CCc1noc(CCC(=O)N2CCC(c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)CC2)n1 ZINC000019708364 556868596 /nfs/dbraw/zinc/86/85/96/556868596.db2.gz JUYAKIAJAZXSRH-UHFFFAOYSA-N 1 2 440.548 1.753 40 0 IDABLO CCCN1C[C@H](C(=O)N2CCC(c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)CC2)CC1=O ZINC000019708372 556868996 /nfs/dbraw/zinc/86/89/96/556868996.db2.gz JQRHQODNAUXTCG-HXUWFJFHSA-N 1 2 441.576 1.434 40 0 IDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327612 556904438 /nfs/dbraw/zinc/90/44/38/556904438.db2.gz UGKSZTJAZAHFGG-SBUREZEXSA-N 1 2 429.517 1.240 40 0 IDABLO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000216364462 557144256 /nfs/dbraw/zinc/14/42/56/557144256.db2.gz ALVBSNNEJQMTOZ-UHFFFAOYSA-N 1 2 429.542 1.972 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144496 557172751 /nfs/dbraw/zinc/17/27/51/557172751.db2.gz SJUCXFVEAOAIRX-DHLKQENFSA-N 1 2 435.524 1.822 40 0 IDABLO CC(C)CCN1Cc2c(C(=O)N3CC[NH+](C)CC3)ncn2-c2ccccc2S1(=O)=O ZINC000096147515 557177318 /nfs/dbraw/zinc/17/73/18/557177318.db2.gz VHHIWNYZUVTGSP-UHFFFAOYSA-N 1 2 431.562 1.810 40 0 IDABLO C[NH+]1CCN(C(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 ZINC000096243749 557187615 /nfs/dbraw/zinc/18/76/15/557187615.db2.gz SFZHISQHAKXSPJ-IBGZPJMESA-N 1 2 438.532 1.579 40 0 IDABLO CNC(=O)[C@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CCN1Cc1ccccc1 ZINC000585261899 557197684 /nfs/dbraw/zinc/19/76/84/557197684.db2.gz NKGOAZVFGPUCCU-HSZRJFAPSA-N 1 2 436.556 1.591 40 0 IDABLO Cc1cccc2c3c([nH]c21)CC[N@@H+](C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O)C3 ZINC000585290816 557228347 /nfs/dbraw/zinc/22/83/47/557228347.db2.gz FYRGLHCTZFIZHK-GGAORHGYSA-N 1 2 441.553 1.631 40 0 IDABLO Cc1cccc2c3c([nH]c21)CC[N@H+](C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O)C3 ZINC000585290816 557228351 /nfs/dbraw/zinc/22/83/51/557228351.db2.gz FYRGLHCTZFIZHK-GGAORHGYSA-N 1 2 441.553 1.631 40 0 IDABLO Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[NH2+][C@H]3C=CS(=O)(=O)C3)CC2)n1 ZINC000100731909 557272489 /nfs/dbraw/zinc/27/24/89/557272489.db2.gz GTPNNFNMZJEONX-UHOSZYNNSA-N 1 2 443.573 1.772 40 0 IDABLO CN(CCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000219974298 557273630 /nfs/dbraw/zinc/27/36/30/557273630.db2.gz SLYNGRKPTPVCKC-UHFFFAOYSA-N 1 2 430.574 1.879 40 0 IDABLO COCCn1nnnc1C[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013510369 557331962 /nfs/dbraw/zinc/33/19/62/557331962.db2.gz MEBNRSPYAAORMI-UHFFFAOYSA-N 1 2 426.477 1.835 40 0 IDABLO COCCn1nnnc1C[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013510369 557331963 /nfs/dbraw/zinc/33/19/63/557331963.db2.gz MEBNRSPYAAORMI-UHFFFAOYSA-N 1 2 426.477 1.835 40 0 IDABLO CN(c1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584850 557349521 /nfs/dbraw/zinc/34/95/21/557349521.db2.gz IVALLIUNZWBTBZ-UHFFFAOYSA-N 1 2 433.530 1.339 40 0 IDABLO CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)s1 ZINC000222856193 557394979 /nfs/dbraw/zinc/39/49/79/557394979.db2.gz XARPQPBJZLSMLC-UHFFFAOYSA-N 1 2 427.577 1.757 40 0 IDABLO Cc1cccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)=N2)c1 ZINC000014607000 557447323 /nfs/dbraw/zinc/44/73/23/557447323.db2.gz ADJQVTRQKPCMCY-LJQANCHMSA-N 1 2 449.511 1.725 40 0 IDABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000223257861 557451804 /nfs/dbraw/zinc/45/18/04/557451804.db2.gz FBCNIPJPWFFTGU-UHFFFAOYSA-N 1 2 431.558 1.597 40 0 IDABLO COCCn1nnnc1[C@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019594052 557506359 /nfs/dbraw/zinc/50/63/59/557506359.db2.gz GLUSAUIWHCBMJD-QFIPXVFZSA-N 1 2 436.516 1.955 40 0 IDABLO CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1OC ZINC000223851537 557520961 /nfs/dbraw/zinc/52/09/61/557520961.db2.gz NQVGHYQBFLHAEA-UHFFFAOYSA-N 1 2 447.557 1.756 40 0 IDABLO Cn1c2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCOCC3)cc2sc1=O ZINC000225683493 557762782 /nfs/dbraw/zinc/76/27/82/557762782.db2.gz WCTYXWPZSBJMAA-UHFFFAOYSA-N 1 2 433.555 1.911 40 0 IDABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@@](C)(O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257205115 568667614 /nfs/dbraw/zinc/66/76/14/568667614.db2.gz AXSNBNPSLFFWFW-XMSQKQJNSA-N 1 2 425.489 1.530 40 0 IDABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@]12CCCO2 ZINC000257250628 568688703 /nfs/dbraw/zinc/68/87/03/568688703.db2.gz JNIXDVJKMLRLHJ-TZIWHRDSSA-N 1 2 437.562 1.680 40 0 IDABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@]12CCCO2 ZINC000257250628 568688705 /nfs/dbraw/zinc/68/87/05/568688705.db2.gz JNIXDVJKMLRLHJ-TZIWHRDSSA-N 1 2 437.562 1.680 40 0 IDABLO CN1c2ccc(S(=O)(=O)N3CC[C@@H](c4n[nH]cc4-c4cc[nH+]c(N)c4)C3)cc2CC1=O ZINC000257269501 568697322 /nfs/dbraw/zinc/69/73/22/568697322.db2.gz MQGMCNJLFKJIDJ-CQSZACIVSA-N 1 2 438.513 1.751 40 0 IDABLO Cn1c2ccc(NC(=O)C[N@@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)cc2n(C)c1=O ZINC000257282299 568703313 /nfs/dbraw/zinc/70/33/13/568703313.db2.gz OTFFWBLJPLFPQZ-REWPJTCUSA-N 1 2 442.491 1.859 40 0 IDABLO Cn1c2ccc(NC(=O)C[N@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)cc2n(C)c1=O ZINC000257282299 568703315 /nfs/dbraw/zinc/70/33/15/568703315.db2.gz OTFFWBLJPLFPQZ-REWPJTCUSA-N 1 2 442.491 1.859 40 0 IDABLO O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1)c1cnco1 ZINC000257313802 568717151 /nfs/dbraw/zinc/71/71/51/568717151.db2.gz UUEYRUUKFXCVEK-SCPDWHHUSA-N 1 2 449.511 1.571 40 0 IDABLO O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(NC[C@@H]3CCCO3)[nH+]c(N3CCCC3)n2)C1 ZINC000015306158 568755130 /nfs/dbraw/zinc/75/51/30/568755130.db2.gz DTMVUOWUEBKXAB-SQNIBIBYSA-N 1 2 437.548 1.848 40 0 IDABLO O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCCC3)nc(NC[C@@H]3CCCO3)[nH+]2)C1 ZINC000015306158 568755132 /nfs/dbraw/zinc/75/51/32/568755132.db2.gz DTMVUOWUEBKXAB-SQNIBIBYSA-N 1 2 437.548 1.848 40 0 IDABLO CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCC[NH+]1CCOCC1 ZINC000019696587 569229770 /nfs/dbraw/zinc/22/97/70/569229770.db2.gz IPRWBWSENPGOLY-HSZRJFAPSA-N 1 2 426.517 1.714 40 0 IDABLO Cc1nc([C@H]2CCN(C(=O)c3cccc(OCC[NH+]4CCOCC4)c3)C2)ncc1C(N)=O ZINC000019758134 569237340 /nfs/dbraw/zinc/23/73/40/569237340.db2.gz PGVPELQEKSLERC-SFHVURJKSA-N 1 2 439.516 1.225 40 0 IDABLO CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000020635739 521509119 /nfs/dbraw/zinc/50/91/19/521509119.db2.gz MOPMVQHTKKZRKW-CQSZACIVSA-N 1 2 440.460 1.137 40 0 IDABLO CN1c2ccccc2[C@]2(OCc3ccccc3N2C(=O)C[NH+]2CCC(C(N)=O)CC2)C1=O ZINC000010157789 524036983 /nfs/dbraw/zinc/03/69/83/524036983.db2.gz UUFXNVHCSGLHKH-DEOSSOPVSA-N 1 2 434.496 1.577 40 0 IDABLO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000022874183 525156552 /nfs/dbraw/zinc/15/65/52/525156552.db2.gz QNFJXMHZAJLHLB-UHFFFAOYSA-N 1 2 435.521 1.854 40 0 IDABLO Cc1ccc2c(c1)N(CC(=O)N(CC[NH+]1CCOCC1)Cc1ccncc1)C(=O)[C@H](C)O2 ZINC000035315186 526168474 /nfs/dbraw/zinc/16/84/74/526168474.db2.gz VBXSQWXJCXFEMU-IBGZPJMESA-N 1 2 438.528 1.865 40 0 IDABLO O=C(C[NH+]1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)N1CCOc2ccccc21 ZINC000012142399 526731657 /nfs/dbraw/zinc/73/16/57/526731657.db2.gz JIFQKEPLMZPWSZ-UHFFFAOYSA-N 1 2 428.514 1.608 40 0 IDABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000022511119 526741447 /nfs/dbraw/zinc/74/14/47/526741447.db2.gz JWFRBKDMIKDIES-UHFFFAOYSA-N 1 2 440.525 1.964 40 0 IDABLO Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)cn1 ZINC000020528480 527203877 /nfs/dbraw/zinc/20/38/77/527203877.db2.gz AVPWDKGGZXBPCL-SFHVURJKSA-N 1 2 449.552 1.304 40 0 IDABLO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)cc1Cl ZINC000408590589 555949852 /nfs/dbraw/zinc/94/98/52/555949852.db2.gz HXDQOHQRZJVEQW-UHFFFAOYSA-N 1 2 445.969 1.198 40 0 IDABLO CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000408597774 555955867 /nfs/dbraw/zinc/95/58/67/555955867.db2.gz YCDOTPDBSVYFRI-UHFFFAOYSA-N 1 2 447.557 1.335 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000408614985 555985941 /nfs/dbraw/zinc/98/59/41/555985941.db2.gz KLMQJPOSZBXPGJ-GOSISDBHSA-N 1 2 436.512 1.740 40 0 IDABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)Cc2ccccc2F)cc1 ZINC000408617562 555988308 /nfs/dbraw/zinc/98/83/08/555988308.db2.gz BNCLZQRWXQZNRP-UHFFFAOYSA-N 1 2 449.548 1.773 40 0 IDABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)Cc2cccc(C)c2)cc1 ZINC000408617290 555988375 /nfs/dbraw/zinc/98/83/75/555988375.db2.gz AMXUIMHZZDHKAN-UHFFFAOYSA-N 1 2 445.585 1.943 40 0 IDABLO CCN(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000016678166 556622866 /nfs/dbraw/zinc/62/28/66/556622866.db2.gz MHTULNLKJNEXLI-UHFFFAOYSA-N 1 2 429.340 1.863 40 0 IDABLO Cc1csc2c([C@H]3CCCN(C(=O)CCC(=O)N4CCC[C@@H]4C(N)=O)C3)[nH+]c(C)n12 ZINC000019240398 556726296 /nfs/dbraw/zinc/72/62/96/556726296.db2.gz OILLKQDLKPSJOZ-JKSUJKDBSA-N 1 2 431.562 1.975 40 0 IDABLO O=C(C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccccc1N1CCOCC1 ZINC000019350006 556744746 /nfs/dbraw/zinc/74/47/46/556744746.db2.gz ZQZYHNKFXPRVKU-UHFFFAOYSA-N 1 2 438.532 1.204 40 0 IDABLO O=C(C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccccc1N1CCOCC1 ZINC000019350006 556744750 /nfs/dbraw/zinc/74/47/50/556744750.db2.gz ZQZYHNKFXPRVKU-UHFFFAOYSA-N 1 2 438.532 1.204 40 0 IDABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000057674871 556748543 /nfs/dbraw/zinc/74/85/43/556748543.db2.gz YJMPNNODMLNRCM-IBGZPJMESA-N 1 2 426.521 1.695 40 0 IDABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000057674871 556748547 /nfs/dbraw/zinc/74/85/47/556748547.db2.gz YJMPNNODMLNRCM-IBGZPJMESA-N 1 2 426.521 1.695 40 0 IDABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1OC ZINC000019561022 556802409 /nfs/dbraw/zinc/80/24/09/556802409.db2.gz DPQHMAROIZVWSI-QGZVFWFLSA-N 1 2 448.545 1.854 40 0 IDABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1OC ZINC000019561022 556802410 /nfs/dbraw/zinc/80/24/10/556802410.db2.gz DPQHMAROIZVWSI-QGZVFWFLSA-N 1 2 448.545 1.854 40 0 IDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(S(=O)(=O)N(C)C)C4)nc3C2)cc1 ZINC000019583648 556820891 /nfs/dbraw/zinc/82/08/91/556820891.db2.gz YFNPVXJCRUDLKM-MRXNPFEDSA-N 1 2 447.561 1.345 40 0 IDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(S(=O)(=O)N(C)C)C4)nc3C2)cc1 ZINC000019583648 556820895 /nfs/dbraw/zinc/82/08/95/556820895.db2.gz YFNPVXJCRUDLKM-MRXNPFEDSA-N 1 2 447.561 1.345 40 0 IDABLO CN(C)S(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019583662 556821052 /nfs/dbraw/zinc/82/10/52/556821052.db2.gz GPTXAXXBEYPKRA-OAHLLOKOSA-N 1 2 448.593 1.721 40 0 IDABLO CN(C)S(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019583662 556821055 /nfs/dbraw/zinc/82/10/55/556821055.db2.gz GPTXAXXBEYPKRA-OAHLLOKOSA-N 1 2 448.593 1.721 40 0 IDABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCCC1)OCCO3 ZINC000006445182 556833163 /nfs/dbraw/zinc/83/31/63/556833163.db2.gz ADMGOFUADQNYAL-YWZLYKJASA-N 1 2 438.488 1.650 40 0 IDABLO C[NH+]1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)CN3CCCCCC3=O)nc2)CC1 ZINC000019708738 556870058 /nfs/dbraw/zinc/87/00/58/556870058.db2.gz XAWXYWPNMGCRFX-HXUWFJFHSA-N 1 2 427.549 1.535 40 0 IDABLO C[NH+]1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccn[nH]4)CCO3)nc3ccccc32)CC1 ZINC000019759191 556902891 /nfs/dbraw/zinc/90/28/91/556902891.db2.gz JTYGJCGAVOPAQU-NRFANRHFSA-N 1 2 434.500 1.559 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000019932162 556948951 /nfs/dbraw/zinc/94/89/51/556948951.db2.gz HKKLXUFYXBWRNF-UHFFFAOYSA-N 1 2 443.569 1.974 40 0 IDABLO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1OC ZINC000020038149 556970785 /nfs/dbraw/zinc/97/07/85/556970785.db2.gz BFDYZMNIGDCIFG-UHFFFAOYSA-N 1 2 444.513 1.972 40 0 IDABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020110413 556985084 /nfs/dbraw/zinc/98/50/84/556985084.db2.gz OJABARNNHMCFFH-UHFFFAOYSA-N 1 2 440.525 1.964 40 0 IDABLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@]2(CO[C@@H](C(=O)NCc3ncc(C)cn3)C2)C1 ZINC000585102211 557036738 /nfs/dbraw/zinc/03/67/38/557036738.db2.gz QHLFDHSBMKOGID-AUSIDOKSSA-N 1 2 436.516 1.417 40 0 IDABLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@]2(CO[C@@H](C(=O)NCc3ncc(C)cn3)C2)C1 ZINC000585102211 557036739 /nfs/dbraw/zinc/03/67/39/557036739.db2.gz QHLFDHSBMKOGID-AUSIDOKSSA-N 1 2 436.516 1.417 40 0 IDABLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccncc3)cn21 ZINC000096156661 557181567 /nfs/dbraw/zinc/18/15/67/557181567.db2.gz KTMHWRRXDIGKPL-OAQYLSRUSA-N 1 2 442.527 1.938 40 0 IDABLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccncc3)cn21 ZINC000096156661 557181571 /nfs/dbraw/zinc/18/15/71/557181571.db2.gz KTMHWRRXDIGKPL-OAQYLSRUSA-N 1 2 442.527 1.938 40 0 IDABLO COc1cccc(S(=O)(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)c1 ZINC000096254928 557189387 /nfs/dbraw/zinc/18/93/87/557189387.db2.gz KLWXRIQOAGXLJQ-UHFFFAOYSA-N 1 2 447.561 1.177 40 0 IDABLO CCOC(=O)Cn1nnnc1C[N@H+](CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057640344 557256038 /nfs/dbraw/zinc/25/60/38/557256038.db2.gz TZEFPCSYBLYCNT-UHFFFAOYSA-N 1 2 428.493 1.079 40 0 IDABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057640344 557256041 /nfs/dbraw/zinc/25/60/41/557256041.db2.gz TZEFPCSYBLYCNT-UHFFFAOYSA-N 1 2 428.493 1.079 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3Cc3ccco3)cc2c1 ZINC000057643147 557256283 /nfs/dbraw/zinc/25/62/83/557256283.db2.gz KELNHKUDNBMYBX-UHFFFAOYSA-N 1 2 438.488 1.939 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3Cc3ccco3)cc2c1 ZINC000057643147 557256286 /nfs/dbraw/zinc/25/62/86/557256286.db2.gz KELNHKUDNBMYBX-UHFFFAOYSA-N 1 2 438.488 1.939 40 0 IDABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000013585224 557350364 /nfs/dbraw/zinc/35/03/64/557350364.db2.gz FADZRJVRNWCROF-UHFFFAOYSA-N 1 2 447.557 1.647 40 0 IDABLO CS(=O)(=O)N(CCCC(=O)NCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000222626057 557364602 /nfs/dbraw/zinc/36/46/02/557364602.db2.gz MSMIZSAPOGHXPM-UHFFFAOYSA-N 1 2 437.484 1.700 40 0 IDABLO O=C(Nc1nnc(S(=O)(=O)NCCC[NH+]2CCOCC2)s1)c1ccc(Cl)cc1 ZINC000222713744 557378086 /nfs/dbraw/zinc/37/80/86/557378086.db2.gz CGTFLKNWHJWCOZ-UHFFFAOYSA-N 1 2 445.954 1.444 40 0 IDABLO Cc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=N1 ZINC000014606997 557447312 /nfs/dbraw/zinc/44/73/12/557447312.db2.gz WDJLYPNBLANHDL-IBGZPJMESA-N 1 2 449.511 1.725 40 0 IDABLO Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[NH+]3CCOCC3)s2)c1 ZINC000223478741 557476905 /nfs/dbraw/zinc/47/69/05/557476905.db2.gz BDBIZSQUFHMBCW-UHFFFAOYSA-N 1 2 425.536 1.099 40 0 IDABLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1C ZINC000223824912 557517632 /nfs/dbraw/zinc/51/76/32/557517632.db2.gz BNJGLOWAPDIFBH-UHFFFAOYSA-N 1 2 431.514 1.970 40 0 IDABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N1C[C@@H](O)[C@H](n2ccc3c2nccc3C(N)=O)C1 ZINC000257227006 568677618 /nfs/dbraw/zinc/67/76/18/568677618.db2.gz FNFCHXCJXIKKTN-NHCUHLMSSA-N 1 2 446.511 1.855 40 0 IDABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1 ZINC000257237202 568682527 /nfs/dbraw/zinc/68/25/27/568682527.db2.gz HFOCDONZNRFXQM-WZONZLPQSA-N 1 2 439.516 1.722 40 0 IDABLO COCCNC(=O)C[N@@H+]1CC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 ZINC000257281337 568702607 /nfs/dbraw/zinc/70/26/07/568702607.db2.gz OORZVPYFUBSTBT-LJQANCHMSA-N 1 2 437.544 1.816 40 0 IDABLO COCCNC(=O)C[N@H+]1CC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 ZINC000257281337 568702609 /nfs/dbraw/zinc/70/26/09/568702609.db2.gz OORZVPYFUBSTBT-LJQANCHMSA-N 1 2 437.544 1.816 40 0 IDABLO COCCNC(=O)C[N@@H+]1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 ZINC000257281336 568702795 /nfs/dbraw/zinc/70/27/95/568702795.db2.gz OORZVPYFUBSTBT-IBGZPJMESA-N 1 2 437.544 1.816 40 0 IDABLO COCCNC(=O)C[N@H+]1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 ZINC000257281336 568702799 /nfs/dbraw/zinc/70/27/99/568702799.db2.gz OORZVPYFUBSTBT-IBGZPJMESA-N 1 2 437.544 1.816 40 0 IDABLO CC(C)c1nc2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257284089 568703754 /nfs/dbraw/zinc/70/37/54/568703754.db2.gz PBEOQDFRKQCOLQ-KKLQWCBXSA-N 1 2 441.576 1.770 40 0 IDABLO CC(C)c1nc2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257284089 568703755 /nfs/dbraw/zinc/70/37/55/568703755.db2.gz PBEOQDFRKQCOLQ-KKLQWCBXSA-N 1 2 441.576 1.770 40 0 IDABLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)ccc1OCC(N)=O ZINC000257290218 568706807 /nfs/dbraw/zinc/70/68/07/568706807.db2.gz QCBHHCOAGAPTMF-QFIPXVFZSA-N 1 2 435.484 1.985 40 0 IDABLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)ccc1OCC(N)=O ZINC000257290218 568706810 /nfs/dbraw/zinc/70/68/10/568706810.db2.gz QCBHHCOAGAPTMF-QFIPXVFZSA-N 1 2 435.484 1.985 40 0 IDABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c2ncnc3N)C1 ZINC000257290052 568706910 /nfs/dbraw/zinc/70/69/10/568706910.db2.gz QBJDIHHHMNLTMZ-WZONZLPQSA-N 1 2 448.531 1.908 40 0 IDABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000257316501 568718200 /nfs/dbraw/zinc/71/82/00/568718200.db2.gz VFWYAYPYECOLOA-FPOVZHCZSA-N 1 2 437.562 1.416 40 0 IDABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000257316501 568718204 /nfs/dbraw/zinc/71/82/04/568718204.db2.gz VFWYAYPYECOLOA-FPOVZHCZSA-N 1 2 437.562 1.416 40 0 IDABLO Cc1cc2[nH]c(CCC(=O)N3CC[C@@](C)(O)[C@H](n4ccc(=O)[nH]c4=O)C3)[nH+]c2cc1C ZINC000257330353 568724529 /nfs/dbraw/zinc/72/45/29/568724529.db2.gz XNZUUPPEEGJMAC-VGOFRKELSA-N 1 2 425.489 1.599 40 0 IDABLO NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000257337892 568727822 /nfs/dbraw/zinc/72/78/22/568727822.db2.gz YUXVREZGPBREGL-XMMPIXPASA-N 1 2 438.528 1.452 40 0 IDABLO Cn1cc(C[N@@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000306124756 568763574 /nfs/dbraw/zinc/76/35/74/568763574.db2.gz BYLGXIMLFWVFCW-RTBURBONSA-N 1 2 425.514 1.651 40 0 IDABLO Cn1cc(C[N@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000306124756 568763576 /nfs/dbraw/zinc/76/35/76/568763576.db2.gz BYLGXIMLFWVFCW-RTBURBONSA-N 1 2 425.514 1.651 40 0 IDABLO COc1cccc(-n2nccc2-c2nc(C(=O)NCC[NH+]3CCOCC3)c3cnccn32)c1 ZINC000306130121 568766161 /nfs/dbraw/zinc/76/61/61/568766161.db2.gz IWQHHIIIOQVAHC-UHFFFAOYSA-N 1 2 447.499 1.653 40 0 IDABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)c4ccn(C)n4)C[C@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306131102 568766371 /nfs/dbraw/zinc/76/63/71/568766371.db2.gz JWPMBDAISMJLJF-KKSFZXQISA-N 1 2 439.545 1.577 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000247835753 569206216 /nfs/dbraw/zinc/20/62/16/569206216.db2.gz MHVHYRDHICVICQ-FOUBCARRSA-N 1 2 441.415 1.013 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000247835753 569206218 /nfs/dbraw/zinc/20/62/18/569206218.db2.gz MHVHYRDHICVICQ-FOUBCARRSA-N 1 2 441.415 1.013 40 0 IDABLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)ccc1OCC(N)=O ZINC000019693647 569229063 /nfs/dbraw/zinc/22/90/63/569229063.db2.gz AXKMOKRCACGQQN-QFIPXVFZSA-N 1 2 435.484 1.985 40 0 IDABLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)ccc1OCC(N)=O ZINC000019693647 569229064 /nfs/dbraw/zinc/22/90/64/569229064.db2.gz AXKMOKRCACGQQN-QFIPXVFZSA-N 1 2 435.484 1.985 40 0 IDABLO Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019720302 569235925 /nfs/dbraw/zinc/23/59/25/569235925.db2.gz QHLXCBWAGPWVSJ-QGZVFWFLSA-N 1 2 445.541 1.735 40 0 IDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3c[nH]c4ccccc34)C2)C(=O)N1Cc1ccccc1F ZINC000225390495 291328808 /nfs/dbraw/zinc/32/88/08/291328808.db2.gz OEUSOAYJADGIMP-GCJKJVERSA-N 1 2 448.498 1.866 40 0 biogenic,in-vitro IDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccs3)C2)C(=O)N1Cc1ccccc1Cl ZINC000225392435 291329036 /nfs/dbraw/zinc/32/90/36/291329036.db2.gz TZLPJDXNKRAETO-QAPCUYQASA-N 1 2 431.945 1.960 40 0 biogenic,in-vitro IDABLO C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)C[NH+]4CCCC4)CC3)n2)C1 ZINC000072335939 524250453 /nfs/dbraw/zinc/25/04/53/524250453.db2.gz SXOUNAZFTSAJPT-QGZVFWFLSA-N 1 2 449.621 1.918 40 0 IDABLO Cc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020638896 525242461 /nfs/dbraw/zinc/24/24/61/525242461.db2.gz NPCYCUHINWNFNG-JOCHJYFZSA-N 1 2 449.555 1.473 40 0 IDABLO Cc1ccc2c(c1)N(CC(=O)N(CC[NH+]1CCOCC1)Cc1ccncc1)C(=O)[C@@H](C)O2 ZINC000035315187 526168493 /nfs/dbraw/zinc/16/84/93/526168493.db2.gz VBXSQWXJCXFEMU-LJQANCHMSA-N 1 2 438.528 1.865 40 0 IDABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000020465391 526630232 /nfs/dbraw/zinc/63/02/32/526630232.db2.gz WSWLBCBHAHKVII-CLAROIROSA-N 1 2 444.507 1.259 40 0 biogenic,in-vitro IDABLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408592170 555953131 /nfs/dbraw/zinc/95/31/31/555953131.db2.gz KJNOUXPEEHNAFK-HXUWFJFHSA-N 1 2 431.558 1.689 40 0 IDABLO Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)cc2)c1 ZINC000408593214 555954907 /nfs/dbraw/zinc/95/49/07/555954907.db2.gz MZXJGMVMBMJSHQ-UHFFFAOYSA-N 1 2 433.530 1.623 40 0 IDABLO O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCC[NH+]1CCOCC1 ZINC000408597899 555956048 /nfs/dbraw/zinc/95/60/48/555956048.db2.gz WGODPRMMLNTXEP-UHFFFAOYSA-N 1 2 431.558 1.546 40 0 IDABLO C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408595558 555961975 /nfs/dbraw/zinc/96/19/75/555961975.db2.gz SFAYIMIKCDWBHU-OAHLLOKOSA-N 1 2 449.504 1.566 40 0 IDABLO O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCCn1cc[nH+]c1 ZINC000408595687 555962259 /nfs/dbraw/zinc/96/22/59/555962259.db2.gz SPFRWYWCOONLSC-UHFFFAOYSA-N 1 2 442.541 1.989 40 0 IDABLO NS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000408604242 555974169 /nfs/dbraw/zinc/97/41/69/555974169.db2.gz LNLZNBJPGOOCSK-UHFFFAOYSA-N 1 2 431.514 1.340 40 0 IDABLO CCc1ccccc1N(CC(=O)NCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408616435 555987458 /nfs/dbraw/zinc/98/74/58/555987458.db2.gz GHZVRVVYHLOZGT-UHFFFAOYSA-N 1 2 431.558 1.893 40 0 IDABLO Cc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000408621247 555990161 /nfs/dbraw/zinc/99/01/61/555990161.db2.gz OUXPRDNQJHJCGI-UHFFFAOYSA-N 1 2 431.558 1.947 40 0 IDABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)c2ccccc2C)cc1 ZINC000408627684 555998418 /nfs/dbraw/zinc/99/84/18/555998418.db2.gz OSIAOYNKBIXBDW-UHFFFAOYSA-N 1 2 431.558 1.947 40 0 IDABLO COCCNS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000408635561 556013408 /nfs/dbraw/zinc/01/34/08/556013408.db2.gz DVEFZZKWJDMBGA-UHFFFAOYSA-N 1 2 430.914 1.047 40 0 IDABLO COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[NH+]1CCCCC1 ZINC000006239078 556082054 /nfs/dbraw/zinc/08/20/54/556082054.db2.gz OGUDQVBLZCNEAI-LJQANCHMSA-N 1 2 428.493 1.754 40 0 IDABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCCCC1)OCO3 ZINC000006445247 556088231 /nfs/dbraw/zinc/08/82/31/556088231.db2.gz ZRNVWJMCEYFMAK-FOIQADDNSA-N 1 2 438.488 1.998 40 0 IDABLO CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1F ZINC000030751952 556503128 /nfs/dbraw/zinc/50/31/28/556503128.db2.gz NRRZYJIJYXLVSL-UHFFFAOYSA-N 1 2 431.493 1.941 40 0 IDABLO CCS(=O)(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019520253 556776043 /nfs/dbraw/zinc/77/60/43/556776043.db2.gz QBEWVSHRGGGRGG-MRXNPFEDSA-N 1 2 432.546 1.888 40 0 IDABLO CCS(=O)(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019520253 556776047 /nfs/dbraw/zinc/77/60/47/556776047.db2.gz QBEWVSHRGGGRGG-MRXNPFEDSA-N 1 2 432.546 1.888 40 0 IDABLO CS(=O)(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCN(C4CCCCC4)C(=O)C3)ccc21 ZINC000019572476 556812874 /nfs/dbraw/zinc/81/28/74/556812874.db2.gz ALGZZZVYCVCYBJ-OAQYLSRUSA-N 1 2 435.590 1.909 40 0 IDABLO CS(=O)(=O)N1CCCc2cc([C@H](O)C[N@H+]3CCN(C4CCCCC4)C(=O)C3)ccc21 ZINC000019572476 556812875 /nfs/dbraw/zinc/81/28/75/556812875.db2.gz ALGZZZVYCVCYBJ-OAQYLSRUSA-N 1 2 435.590 1.909 40 0 IDABLO CNc1nc([C@@H]2CCCCN2C(=O)COCCN2CCCC2=O)nc2c1C[N@H+](C)CC2 ZINC000019710399 556872768 /nfs/dbraw/zinc/87/27/68/556872768.db2.gz FFBFRLKRPRPPTD-SFHVURJKSA-N 1 2 430.553 1.199 40 0 IDABLO CNc1nc([C@@H]2CCCCN2C(=O)COCCN2CCCC2=O)nc2c1C[N@@H+](C)CC2 ZINC000019710399 556872771 /nfs/dbraw/zinc/87/27/71/556872771.db2.gz FFBFRLKRPRPPTD-SFHVURJKSA-N 1 2 430.553 1.199 40 0 IDABLO CC[C@@H](C(=O)N1CCc2c(nc(C3CCN(C(C)=O)CC3)nc2NC)C1)[NH+]1CCOCC1 ZINC000019710693 556874283 /nfs/dbraw/zinc/87/42/83/556874283.db2.gz CPHRBHOVWQKQAK-FQEVSTJZSA-N 1 2 444.580 1.240 40 0 IDABLO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000019817940 556920427 /nfs/dbraw/zinc/92/04/27/556920427.db2.gz DLXCTVLIPLEHDG-IAGOWNOFSA-N 1 2 432.477 1.176 40 0 IDABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000020111119 556985775 /nfs/dbraw/zinc/98/57/75/556985775.db2.gz MAESONKCTKLGOF-UHFFFAOYSA-N 1 2 429.542 1.666 40 0 IDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2 ZINC000020800040 557018536 /nfs/dbraw/zinc/01/85/36/557018536.db2.gz UTTRHOVYRBLUFA-JTQLQIEISA-N 1 2 436.394 1.979 40 0 IDABLO COc1ncc(C[N@@H+]2CCO[C@@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C ZINC000585102327 557036680 /nfs/dbraw/zinc/03/66/80/557036680.db2.gz ZPGUCKPFCGAFEU-PGRDOPGGSA-N 1 2 427.505 1.173 40 0 IDABLO COc1ncc(C[N@H+]2CCO[C@@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C ZINC000585102327 557036686 /nfs/dbraw/zinc/03/66/86/557036686.db2.gz ZPGUCKPFCGAFEU-PGRDOPGGSA-N 1 2 427.505 1.173 40 0 IDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222495711 557344327 /nfs/dbraw/zinc/34/43/27/557344327.db2.gz AAAGPJVINSJHEP-OAHLLOKOSA-N 1 2 433.958 1.342 40 0 IDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222495645 557344346 /nfs/dbraw/zinc/34/43/46/557344346.db2.gz AAAGPJVINSJHEP-HNNXBMFYSA-N 1 2 433.958 1.342 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[NH+]4CCOCC4)ccc32)cc1 ZINC000223069705 557425509 /nfs/dbraw/zinc/42/55/09/557425509.db2.gz VLBJLUMCSCBBLP-UHFFFAOYSA-N 1 2 429.542 1.808 40 0 IDABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000019572161 557501133 /nfs/dbraw/zinc/50/11/33/557501133.db2.gz NDTHNMIJLDXMLD-UHFFFAOYSA-N 1 2 449.504 1.665 40 0 IDABLO COCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000019824842 557508575 /nfs/dbraw/zinc/50/85/75/557508575.db2.gz ZMLXBIJJXKXGJL-UHFFFAOYSA-N 1 2 448.589 1.582 40 0 IDABLO CCSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000223791861 557514152 /nfs/dbraw/zinc/51/41/52/557514152.db2.gz XREFVHWNALJWIB-UHFFFAOYSA-N 1 2 441.604 1.980 40 0 IDABLO S=C(NCC[NH+]1CCOCC1)Nc1ncc(Br)nc1Br ZINC000223892912 557526105 /nfs/dbraw/zinc/52/61/05/557526105.db2.gz LVODGHDYVZTYMF-UHFFFAOYSA-N 1 2 425.150 1.620 40 0 IDABLO CC1CCN(c2cc(N3CCCC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)CC1 ZINC000225903076 557789567 /nfs/dbraw/zinc/78/95/67/557789567.db2.gz NHNIDOIANHFGOW-UHFFFAOYSA-N 1 2 433.626 1.932 40 0 IDABLO CC(C)NC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000015671977 560230366 /nfs/dbraw/zinc/23/03/66/560230366.db2.gz PTWNQEODABQRRM-NHCUHLMSSA-N 1 2 448.564 1.071 40 0 biogenic,in-vitro IDABLO Cc1cc2[nH]c(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)[nH+]c2cc1C ZINC000257202297 568666076 /nfs/dbraw/zinc/66/60/76/568666076.db2.gz ALERUQYUFZBIHS-WZONZLPQSA-N 1 2 439.516 1.908 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)C[C@@H]2O ZINC000257218256 568673427 /nfs/dbraw/zinc/67/34/27/568673427.db2.gz DCKOZZYDFIXJDG-YJBOKZPZSA-N 1 2 433.477 1.087 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)C[C@@H]2O ZINC000257218256 568673429 /nfs/dbraw/zinc/67/34/29/568673429.db2.gz DCKOZZYDFIXJDG-YJBOKZPZSA-N 1 2 433.477 1.087 40 0 IDABLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1Cl ZINC000257227553 568677853 /nfs/dbraw/zinc/67/78/53/568677853.db2.gz FPWPJIKWGFTCEH-WMZOPIPTSA-N 1 2 431.942 1.148 40 0 IDABLO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1Cl ZINC000257227553 568677855 /nfs/dbraw/zinc/67/78/55/568677855.db2.gz FPWPJIKWGFTCEH-WMZOPIPTSA-N 1 2 431.942 1.148 40 0 IDABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c2ncnc3N)C1 ZINC000257291047 568707253 /nfs/dbraw/zinc/70/72/53/568707253.db2.gz QFJBCOQJEHINSF-VGOFRKELSA-N 1 2 434.504 1.681 40 0 IDABLO CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCNC(=O)c1cccnc1 ZINC000257308852 568714812 /nfs/dbraw/zinc/71/48/12/568714812.db2.gz TYKGAGDEWBDKSQ-XMMPIXPASA-N 1 2 448.527 1.635 40 0 IDABLO CNc1nc([C@@H]2CCN(C(=O)COc3ccc4c(c3)OCCO4)C2)nc2c1C[N@H+](C)CC2 ZINC000257332521 568725567 /nfs/dbraw/zinc/72/55/67/568725567.db2.gz XXQJTHJJXIEAOL-OAHLLOKOSA-N 1 2 439.516 1.672 40 0 IDABLO CNc1nc([C@@H]2CCN(C(=O)COc3ccc4c(c3)OCCO4)C2)nc2c1C[N@@H+](C)CC2 ZINC000257332521 568725568 /nfs/dbraw/zinc/72/55/68/568725568.db2.gz XXQJTHJJXIEAOL-OAHLLOKOSA-N 1 2 439.516 1.672 40 0 IDABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257333732 568726057 /nfs/dbraw/zinc/72/60/57/568726057.db2.gz YCVUBNWAHXXNCI-WZONZLPQSA-N 1 2 439.516 1.784 40 0 IDABLO Cn1cc(C[N@@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)cn1 ZINC000306124755 568763602 /nfs/dbraw/zinc/76/36/02/568763602.db2.gz BYLGXIMLFWVFCW-RBUKOAKNSA-N 1 2 425.514 1.651 40 0 IDABLO Cn1cc(C[N@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)cn1 ZINC000306124755 568763605 /nfs/dbraw/zinc/76/36/05/568763605.db2.gz BYLGXIMLFWVFCW-RBUKOAKNSA-N 1 2 425.514 1.651 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000247816697 569206190 /nfs/dbraw/zinc/20/61/90/569206190.db2.gz GECBPMWPXOXFKH-LVBDUCALSA-N 1 2 437.452 1.182 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000247816697 569206197 /nfs/dbraw/zinc/20/61/97/569206197.db2.gz GECBPMWPXOXFKH-LVBDUCALSA-N 1 2 437.452 1.182 40 0 IDABLO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2C[N@H+](CCN3CCCC3=O)CCO2)n1 ZINC000019692680 569228188 /nfs/dbraw/zinc/22/81/88/569228188.db2.gz DSDCBSASADLDGW-IBGZPJMESA-N 1 2 438.532 1.304 40 0 IDABLO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2C[N@@H+](CCN3CCCC3=O)CCO2)n1 ZINC000019692680 569228190 /nfs/dbraw/zinc/22/81/90/569228190.db2.gz DSDCBSASADLDGW-IBGZPJMESA-N 1 2 438.532 1.304 40 0 IDABLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O ZINC000019693798 569229273 /nfs/dbraw/zinc/22/92/73/569229273.db2.gz VGUANZQPFYNNQT-JOCHJYFZSA-N 1 2 437.500 1.928 40 0 IDABLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O ZINC000019693798 569229274 /nfs/dbraw/zinc/22/92/74/569229274.db2.gz VGUANZQPFYNNQT-JOCHJYFZSA-N 1 2 437.500 1.928 40 0 IDABLO Cc1nc([C@@H]2CCCN(C(=O)C[NH+]3Cc4ccccc4C3)C2)ncc1C(=O)N1CCOCC1 ZINC000019763988 569238243 /nfs/dbraw/zinc/23/82/43/569238243.db2.gz ZRHGAKFUMQWTNO-OAQYLSRUSA-N 1 2 449.555 1.979 40 0 IDABLO C[NH+](C)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000244535231 569490228 /nfs/dbraw/zinc/49/02/28/569490228.db2.gz ZVKYQLKURXJSCW-CYBMUJFWSA-N 1 2 425.370 1.189 40 0 IDABLO CC(=O)Nc1ccc(C[NH+]2CC3(C2)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](O)CN23)cc1 ZINC000225386497 291319698 /nfs/dbraw/zinc/31/96/98/291319698.db2.gz OLBFEXJNYOUVOU-YADHBBJMSA-N 1 2 448.523 1.204 40 0 biogenic,in-vitro IDABLO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4cccs4)C3)C2=O)cc1 ZINC000225384034 291324473 /nfs/dbraw/zinc/32/44/73/291324473.db2.gz JWPNCODVDLDBPI-APWZRJJASA-N 1 2 427.526 1.315 40 0 biogenic,in-vitro IDABLO COc1ccc(C[NH+]2CC3(C2)C(=O)N(Cc2ccc(C)o2)C(=O)[C@@H]2C[C@@H](O)CN23)cc1 ZINC000225396916 291324497 /nfs/dbraw/zinc/32/44/97/291324497.db2.gz HGORSZNODNTMTH-XLIONFOSSA-N 1 2 425.485 1.155 40 0 biogenic,in-vitro IDABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4c[nH]c5ccccc45)C3)C2=O)o1 ZINC000225440892 291326289 /nfs/dbraw/zinc/32/62/89/291326289.db2.gz ZHHCLDIVKOQZKU-UTKZUKDTSA-N 1 2 434.496 1.628 40 0 biogenic,in-vitro IDABLO Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4[nH+]ccn4C)[C@@H]3CO)cc2)n(C)n1 ZINC000072321511 291326027 /nfs/dbraw/zinc/32/60/27/291326027.db2.gz LOVXSQNXGBFBMX-WIYYLYMNSA-N 1 2 438.488 1.175 40 0 biogenic,in-vitro IDABLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(NC[C@@H]3CCCO3)[nH+]c(N3CCCC3)n2)C1 ZINC000001440845 132245332 /nfs/dbraw/zinc/24/53/32/132245332.db2.gz DTMVUOWUEBKXAB-KSZLIROESA-N 1 2 437.548 1.848 40 0 IDABLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(N3CCCC3)nc(NC[C@@H]3CCCO3)[nH+]2)C1 ZINC000001440845 132245335 /nfs/dbraw/zinc/24/53/35/132245335.db2.gz DTMVUOWUEBKXAB-KSZLIROESA-N 1 2 437.548 1.848 40 0 IDABLO CCc1noc(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)C2)n1 ZINC000072345756 522897560 /nfs/dbraw/zinc/89/75/60/522897560.db2.gz ZYRRFYDLKORJKP-GOSISDBHSA-N 1 2 440.548 1.753 40 0 IDABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C[C@@H]3C(=O)NCC[N@H+]3C)cc2n1 ZINC000012230596 523778537 /nfs/dbraw/zinc/77/85/37/523778537.db2.gz DVHRGPYCINQRHW-LSDHHAIUSA-N 1 2 438.454 1.794 40 0 IDABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C[C@@H]3C(=O)NCC[N@@H+]3C)cc2n1 ZINC000012230596 523778545 /nfs/dbraw/zinc/77/85/45/523778545.db2.gz DVHRGPYCINQRHW-LSDHHAIUSA-N 1 2 438.454 1.794 40 0 IDABLO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000408596933 555964459 /nfs/dbraw/zinc/96/44/59/555964459.db2.gz VDJJVVFNSHHNME-UHFFFAOYSA-N 1 2 449.529 1.323 40 0 IDABLO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000408622802 555991692 /nfs/dbraw/zinc/99/16/92/555991692.db2.gz RIGKXFMQSKGDGO-UHFFFAOYSA-N 1 2 433.530 1.582 40 0 IDABLO COc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000408628160 555998638 /nfs/dbraw/zinc/99/86/38/555998638.db2.gz VCJOTQIHPFXRKN-UHFFFAOYSA-N 1 2 447.557 1.647 40 0 IDABLO COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[NH+]1CCCCC1 ZINC000006239162 556081864 /nfs/dbraw/zinc/08/18/64/556081864.db2.gz OGUDQVBLZCNEAI-IBGZPJMESA-N 1 2 428.493 1.754 40 0 IDABLO O=C1C[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000015022145 556488112 /nfs/dbraw/zinc/48/81/12/556488112.db2.gz IRUPSXQTVYIEDD-LJQANCHMSA-N 1 2 431.489 1.901 40 0 IDABLO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cnc4ccccc4c3)C2)C1 ZINC000514290138 556626168 /nfs/dbraw/zinc/62/61/68/556626168.db2.gz UIPQKNOBOLYYME-FCHUYYIVSA-N 1 2 429.524 1.775 40 0 biogenic,in-vitro IDABLO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCC[NH+]2CCOCC2)cc1Cl ZINC000039986575 556633335 /nfs/dbraw/zinc/63/33/35/556633335.db2.gz AGGMHUQEJIQTHF-UHFFFAOYSA-N 1 2 433.958 1.198 40 0 IDABLO COCc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(OC)c(OC)c1 ZINC000040372696 556635571 /nfs/dbraw/zinc/63/55/71/556635571.db2.gz ITVSODIHUJCINK-UHFFFAOYSA-N 1 2 440.504 1.651 40 0 IDABLO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1 ZINC000019023067 556694488 /nfs/dbraw/zinc/69/44/88/556694488.db2.gz JPSLGQNJYOGKFU-LJQANCHMSA-N 1 2 446.529 1.350 40 0 IDABLO CC(=O)Oc1ccc(C[N@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1 ZINC000019023067 556694489 /nfs/dbraw/zinc/69/44/89/556694489.db2.gz JPSLGQNJYOGKFU-LJQANCHMSA-N 1 2 446.529 1.350 40 0 IDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)c5cnn(C)c5)C4)nc3C2)cc1 ZINC000019290539 556730641 /nfs/dbraw/zinc/73/06/41/556730641.db2.gz IQODIUPZDCQOQW-KRWDZBQOSA-N 1 2 448.527 1.700 40 0 IDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)c5cnn(C)c5)C4)nc3C2)cc1 ZINC000019290539 556730645 /nfs/dbraw/zinc/73/06/45/556730645.db2.gz IQODIUPZDCQOQW-KRWDZBQOSA-N 1 2 448.527 1.700 40 0 IDABLO O=S(=O)(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000019332764 556737485 /nfs/dbraw/zinc/73/74/85/556737485.db2.gz ARQQYBBQSYNXOU-GOSISDBHSA-N 1 2 447.022 1.943 40 0 IDABLO O=S(=O)(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000019332768 556737558 /nfs/dbraw/zinc/73/75/58/556737558.db2.gz ARQQYBBQSYNXOU-SFHVURJKSA-N 1 2 447.022 1.943 40 0 IDABLO COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCC[NH+]4CCOCC4)C3)c2N)cc1 ZINC000019558765 556800681 /nfs/dbraw/zinc/80/06/81/556800681.db2.gz OPICFRFPQNWBSU-KRWDZBQOSA-N 1 2 441.532 1.607 40 0 IDABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCCC1)OCCO3 ZINC000006445244 556833486 /nfs/dbraw/zinc/83/34/86/556833486.db2.gz ADMGOFUADQNYAL-FOIQADDNSA-N 1 2 438.488 1.650 40 0 IDABLO CCc1noc(CCC(=O)N2CCC[C@@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)n1 ZINC000019708686 556869709 /nfs/dbraw/zinc/86/97/09/556869709.db2.gz BBCHXMPXQRBQTN-GOSISDBHSA-N 1 2 426.521 1.711 40 0 IDABLO CCc1noc(CCC(=O)N2CCC[C@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)n1 ZINC000019708687 556869886 /nfs/dbraw/zinc/86/98/86/556869886.db2.gz BBCHXMPXQRBQTN-SFHVURJKSA-N 1 2 426.521 1.711 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008265 556959309 /nfs/dbraw/zinc/95/93/09/556959309.db2.gz QQSMALRMNSGIOR-FQEVSTJZSA-N 1 2 435.521 1.164 40 0 IDABLO CC(C)C[N@@H+]1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)Cc1ccc(F)cn1)C2 ZINC000585101562 557034769 /nfs/dbraw/zinc/03/47/69/557034769.db2.gz MNZWUZOOQGTARF-QFIPXVFZSA-N 1 2 428.512 1.473 40 0 IDABLO CC(C)C[N@H+]1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)Cc1ccc(F)cn1)C2 ZINC000585101562 557034771 /nfs/dbraw/zinc/03/47/71/557034771.db2.gz MNZWUZOOQGTARF-QFIPXVFZSA-N 1 2 428.512 1.473 40 0 IDABLO CC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)NCC[NH+]4CCOCC4)cn32)CC1 ZINC000096156021 557180930 /nfs/dbraw/zinc/18/09/30/557180930.db2.gz YARLPAWOKJQVDH-UHFFFAOYSA-N 1 2 442.564 1.241 40 0 IDABLO C[NH+]1CCN(C(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 ZINC000096243750 557187595 /nfs/dbraw/zinc/18/75/95/557187595.db2.gz SFZHISQHAKXSPJ-LJQANCHMSA-N 1 2 438.532 1.579 40 0 IDABLO COc1cccc(CC(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)c1 ZINC000096254899 557189182 /nfs/dbraw/zinc/18/91/82/557189182.db2.gz AARMPNCRAVRXKI-UHFFFAOYSA-N 1 2 425.533 1.558 40 0 IDABLO COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000604381042 557236118 /nfs/dbraw/zinc/23/61/18/557236118.db2.gz CNDUNNCWEDSUQL-MRXNPFEDSA-N 1 2 429.439 1.329 40 0 biogenic,in-vitro IDABLO COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1OC ZINC000026786645 557248903 /nfs/dbraw/zinc/24/89/03/557248903.db2.gz IYKGAKQMFKYNDN-UHFFFAOYSA-N 1 2 433.530 1.821 40 0 IDABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589783 557250339 /nfs/dbraw/zinc/25/03/39/557250339.db2.gz PLVFOISKYFMBNU-GHTZIAJQSA-N 1 2 438.532 1.857 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000022607549 557258549 /nfs/dbraw/zinc/25/85/49/557258549.db2.gz GECBPMWPXOXFKH-XWQURZDVSA-N 1 2 437.452 1.182 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000022607549 557258551 /nfs/dbraw/zinc/25/85/51/557258551.db2.gz GECBPMWPXOXFKH-XWQURZDVSA-N 1 2 437.452 1.182 40 0 IDABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000219973311 557273610 /nfs/dbraw/zinc/27/36/10/557273610.db2.gz LYJIRFVPUSQTNG-UHFFFAOYSA-N 1 2 431.514 1.423 40 0 IDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000219973836 557273640 /nfs/dbraw/zinc/27/36/40/557273640.db2.gz XFBJYCXBMSPJJH-UHFFFAOYSA-N 1 2 446.548 1.724 40 0 IDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220688073 557306965 /nfs/dbraw/zinc/30/69/65/557306965.db2.gz GWLPCISSJNEEHQ-OAHLLOKOSA-N 1 2 438.377 1.986 40 0 IDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220696382 557307739 /nfs/dbraw/zinc/30/77/39/557307739.db2.gz SJHHGFDWMLAHCW-MRXNPFEDSA-N 1 2 438.377 1.986 40 0 IDABLO CS(=O)(=O)N(CCCC(=O)NCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000222382308 557336765 /nfs/dbraw/zinc/33/67/65/557336765.db2.gz SSGSQJQKDSXXRZ-UHFFFAOYSA-N 1 2 438.377 1.988 40 0 IDABLO CCN(c1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013585065 557350103 /nfs/dbraw/zinc/35/01/03/557350103.db2.gz NBXUMXMFAIQZGC-UHFFFAOYSA-N 1 2 447.557 1.729 40 0 IDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000222776221 557385990 /nfs/dbraw/zinc/38/59/90/557385990.db2.gz CAADLHHYIQRGPV-HXUWFJFHSA-N 1 2 425.529 1.931 40 0 IDABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccccc1F ZINC000223181382 557442710 /nfs/dbraw/zinc/44/27/10/557442710.db2.gz MXOFUIYPDQNIMV-UHFFFAOYSA-N 1 2 449.548 1.736 40 0 IDABLO COCCn1nnnc1[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019594053 557506277 /nfs/dbraw/zinc/50/62/77/557506277.db2.gz GLUSAUIWHCBMJD-JOCHJYFZSA-N 1 2 436.516 1.955 40 0 IDABLO CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000224198898 557574436 /nfs/dbraw/zinc/57/44/36/557574436.db2.gz ROEGOBJUVCTIIZ-UHFFFAOYSA-N 1 2 447.557 1.578 40 0 IDABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225560545 557742647 /nfs/dbraw/zinc/74/26/47/557742647.db2.gz JRHDERULZXODJL-UHFFFAOYSA-N 1 2 426.498 1.823 40 0 IDABLO CN([C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1)S(C)(=O)=O ZINC000260767795 557854212 /nfs/dbraw/zinc/85/42/12/557854212.db2.gz PEJIORUPFFUQNC-NRFANRHFSA-N 1 2 431.558 1.768 40 0 IDABLO CN(C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257210448 568669790 /nfs/dbraw/zinc/66/97/90/568669790.db2.gz BUQSFJPSPJHRRG-BFYDXBDKSA-N 1 2 439.438 1.368 40 0 IDABLO CN(C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257210448 568669792 /nfs/dbraw/zinc/66/97/92/568669792.db2.gz BUQSFJPSPJHRRG-BFYDXBDKSA-N 1 2 439.438 1.368 40 0 IDABLO CCc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257221559 568674850 /nfs/dbraw/zinc/67/48/50/568674850.db2.gz DPOSOPVPDUBFPH-WJPUGNRLSA-N 1 2 448.531 1.982 40 0 IDABLO Cn1c2ccc(NC(=O)C[N@@H+]3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)cc2n(C)c1=O ZINC000257248375 568687850 /nfs/dbraw/zinc/68/78/50/568687850.db2.gz JDJVZLXENWVYQY-REWPJTCUSA-N 1 2 442.491 1.859 40 0 IDABLO Cn1c2ccc(NC(=O)C[N@H+]3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)cc2n(C)c1=O ZINC000257248375 568687851 /nfs/dbraw/zinc/68/78/51/568687851.db2.gz JDJVZLXENWVYQY-REWPJTCUSA-N 1 2 442.491 1.859 40 0 IDABLO Cc1cc2[nH]c(CCC(=O)N3CC[C@H](n4cc(C)c(=O)[nH]c4=O)[C@@](C)(O)C3)[nH+]c2cc1C ZINC000257269219 568697231 /nfs/dbraw/zinc/69/72/31/568697231.db2.gz MPBKKEXVFJKUGB-MBSDFSHPSA-N 1 2 439.516 1.908 40 0 IDABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2ccc3c2nccc3C(N)=O)C1 ZINC000257285300 568704552 /nfs/dbraw/zinc/70/45/52/568704552.db2.gz PGMWBURASQFGTG-WOJBJXKFSA-N 1 2 446.511 1.882 40 0 IDABLO CNc1nc([C@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000257304278 568713310 /nfs/dbraw/zinc/71/33/10/568713310.db2.gz SKWCNLWFMBEOOF-INIZCTEOSA-N 1 2 438.532 1.860 40 0 IDABLO CNc1nc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000257304278 568713311 /nfs/dbraw/zinc/71/33/11/568713311.db2.gz SKWCNLWFMBEOOF-INIZCTEOSA-N 1 2 438.532 1.860 40 0 IDABLO CNc1nc([C@H]2CCN(C(=O)COc3ccc4c(c3)OCCO4)C2)nc2c1C[N@H+](C)CC2 ZINC000257332520 568725559 /nfs/dbraw/zinc/72/55/59/568725559.db2.gz XXQJTHJJXIEAOL-HNNXBMFYSA-N 1 2 439.516 1.672 40 0 IDABLO CNc1nc([C@H]2CCN(C(=O)COc3ccc4c(c3)OCCO4)C2)nc2c1C[N@@H+](C)CC2 ZINC000257332520 568725561 /nfs/dbraw/zinc/72/55/61/568725561.db2.gz XXQJTHJJXIEAOL-HNNXBMFYSA-N 1 2 439.516 1.672 40 0 IDABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@H](n2cnc3c2ncnc3N)[C@@](C)(O)C1 ZINC000257338172 568727820 /nfs/dbraw/zinc/72/78/20/568727820.db2.gz YWHGNQFEQUFZRN-JTSKRJEESA-N 1 2 434.504 1.681 40 0 IDABLO Cc1nc([C@H]2CCCN(C(=O)C[NH+]3Cc4ccccc4C3)C2)ncc1C(=O)N1CCOCC1 ZINC000019763991 569238202 /nfs/dbraw/zinc/23/82/02/569238202.db2.gz ZRHGAKFUMQWTNO-NRFANRHFSA-N 1 2 449.555 1.979 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CC3(C2)CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C[NH2+]3)cc1 ZINC000306145706 569450910 /nfs/dbraw/zinc/45/09/10/569450910.db2.gz OFYSWRZEGANVPJ-OAQYLSRUSA-N 1 2 437.562 1.738 40 0 IDABLO C[NH+](C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000244535232 569490243 /nfs/dbraw/zinc/49/02/43/569490243.db2.gz ZVKYQLKURXJSCW-ZDUSSCGKSA-N 1 2 425.370 1.189 40 0 IDABLO CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1=O ZINC000225385027 291321434 /nfs/dbraw/zinc/32/14/34/291321434.db2.gz MZWHSKVVIYUUSY-WBVHZDCISA-N 1 2 441.450 1.744 40 0 biogenic,in-vitro IDABLO COc1ccccc1C[NH+]1CC2(C1)C(=O)N(Cc1ccc(C)o1)C(=O)[C@@H]1C[C@@H](O)CN12 ZINC000225397921 291325013 /nfs/dbraw/zinc/32/50/13/291325013.db2.gz DVFFBKGYYIBZRW-MJGOQNOKSA-N 1 2 425.485 1.155 40 0 biogenic,in-vitro IDABLO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccc(F)cc4)C3)C2=O)cc1 ZINC000225383775 291324256 /nfs/dbraw/zinc/32/42/56/291324256.db2.gz JOYUCEUTOSOXCG-CTNGQTDRSA-N 1 2 439.487 1.393 40 0 biogenic,in-vitro IDABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4cnc5ccccc5c4)C3)C2=O)o1 ZINC000225440772 291326331 /nfs/dbraw/zinc/32/63/31/291326331.db2.gz YSTWYBYPNJWICL-KNQAVFIVSA-N 1 2 446.507 1.695 40 0 biogenic,in-vitro IDABLO Cn1cc[nH+]c1CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCOCC3)cc2)[C@H]1CO ZINC000072321516 291326694 /nfs/dbraw/zinc/32/66/94/291326694.db2.gz FPVDAZUZEMJUCO-WIYYLYMNSA-N 1 2 428.489 1.246 40 0 biogenic,in-vitro IDABLO CCc1cc(CC)n(-c2nc3c(c(=O)n(CC[NH+]4CCOCC4)c(=O)n3C)n2C(C)C)n1 ZINC000012518978 523785928 /nfs/dbraw/zinc/78/59/28/523785928.db2.gz HTJGTDNXLFVEIC-UHFFFAOYSA-N 1 2 443.552 1.120 40 0 IDABLO Cc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020638893 525243305 /nfs/dbraw/zinc/24/33/05/525243305.db2.gz NPCYCUHINWNFNG-QFIPXVFZSA-N 1 2 449.555 1.473 40 0 IDABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000020465360 526630043 /nfs/dbraw/zinc/63/00/43/526630043.db2.gz VFNSHSMKDCCGHZ-CLAROIROSA-N 1 2 447.482 1.006 40 0 biogenic,in-vitro IDABLO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCC[NH+]1CCOCC1 ZINC000408624304 555993568 /nfs/dbraw/zinc/99/35/68/555993568.db2.gz VMMFYTIJRQCSFW-UHFFFAOYSA-N 1 2 427.542 1.598 40 0 IDABLO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1I ZINC000408629844 556000258 /nfs/dbraw/zinc/00/02/58/556000258.db2.gz IXZJITJSKOJJNY-UHFFFAOYSA-N 1 2 440.303 1.300 40 0 IDABLO Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCC[NH+]4CCOCC4)C3)c2N)cc1 ZINC000019213165 556710747 /nfs/dbraw/zinc/71/07/47/556710747.db2.gz IODSLONGBRWZQA-GOSISDBHSA-N 1 2 425.533 1.907 40 0 IDABLO Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCC[NH+]4CCOCC4)C3)c2N)cc1 ZINC000019213169 556710754 /nfs/dbraw/zinc/71/07/54/556710754.db2.gz IODSLONGBRWZQA-SFHVURJKSA-N 1 2 425.533 1.907 40 0 IDABLO CCS(=O)(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019520254 556776002 /nfs/dbraw/zinc/77/60/02/556776002.db2.gz QBEWVSHRGGGRGG-INIZCTEOSA-N 1 2 432.546 1.888 40 0 IDABLO CCS(=O)(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019520254 556776006 /nfs/dbraw/zinc/77/60/06/556776006.db2.gz QBEWVSHRGGGRGG-INIZCTEOSA-N 1 2 432.546 1.888 40 0 IDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)Cn5cccn5)C4)nc3C2)cc1 ZINC000019555641 556798587 /nfs/dbraw/zinc/79/85/87/556798587.db2.gz KGYCMJPTHQERTC-SFHVURJKSA-N 1 2 448.527 1.962 40 0 IDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)Cn5cccn5)C4)nc3C2)cc1 ZINC000019555641 556798590 /nfs/dbraw/zinc/79/85/90/556798590.db2.gz KGYCMJPTHQERTC-SFHVURJKSA-N 1 2 448.527 1.962 40 0 IDABLO CC1=NN(C)[C@H]2C(N3CCN(CC(=O)c4cccc(Br)c4)CC3)=[NH+]C=N[C@@H]12 ZINC000222252026 556808783 /nfs/dbraw/zinc/80/87/83/556808783.db2.gz AWFOCXPRMSCNGN-ZWKOTPCHSA-N 1 2 431.338 1.748 40 0 IDABLO CC1=NN(C)[C@@H]2C(N3CCN(CC(=O)c4cccc(Br)c4)CC3)=[NH+]C=N[C@@H]12 ZINC000222251933 556808851 /nfs/dbraw/zinc/80/88/51/556808851.db2.gz AWFOCXPRMSCNGN-ROUUACIJSA-N 1 2 431.338 1.748 40 0 IDABLO CN(C)S(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019583665 556820995 /nfs/dbraw/zinc/82/09/95/556820995.db2.gz GPTXAXXBEYPKRA-HNNXBMFYSA-N 1 2 448.593 1.721 40 0 IDABLO CN(C)S(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019583665 556820997 /nfs/dbraw/zinc/82/09/97/556820997.db2.gz GPTXAXXBEYPKRA-HNNXBMFYSA-N 1 2 448.593 1.721 40 0 IDABLO CNc1nc([C@H]2CCCCN2C(=O)COCCN2CCCC2=O)nc2c1C[N@H+](C)CC2 ZINC000019710400 556873195 /nfs/dbraw/zinc/87/31/95/556873195.db2.gz FFBFRLKRPRPPTD-GOSISDBHSA-N 1 2 430.553 1.199 40 0 IDABLO CNc1nc([C@H]2CCCCN2C(=O)COCCN2CCCC2=O)nc2c1C[N@@H+](C)CC2 ZINC000019710400 556873198 /nfs/dbraw/zinc/87/31/98/556873198.db2.gz FFBFRLKRPRPPTD-GOSISDBHSA-N 1 2 430.553 1.199 40 0 IDABLO COCCNC(=O)C[N@@H+]1CCC[C@@H](c2nc3c(c(C)n2)CC(=O)N3Cc2ccccc2)C1 ZINC000019744471 556890683 /nfs/dbraw/zinc/89/06/83/556890683.db2.gz PTWFTOBYYVXXRJ-LJQANCHMSA-N 1 2 437.544 1.816 40 0 IDABLO COCCNC(=O)C[N@H+]1CCC[C@@H](c2nc3c(c(C)n2)CC(=O)N3Cc2ccccc2)C1 ZINC000019744471 556890686 /nfs/dbraw/zinc/89/06/86/556890686.db2.gz PTWFTOBYYVXXRJ-LJQANCHMSA-N 1 2 437.544 1.816 40 0 IDABLO Cc1nc([C@@H]2CCCN2C(=O)c2cccc(OCC[NH+]3CCOCC3)c2)ncc1C(N)=O ZINC000019756015 556899529 /nfs/dbraw/zinc/89/95/29/556899529.db2.gz SRGFJPSXRKJBPX-FQEVSTJZSA-N 1 2 439.516 1.572 40 0 IDABLO COc1cc2c(cc1C[N@@H+]1CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@H](C)C4)nc3C1)OCO2 ZINC000072347314 556918815 /nfs/dbraw/zinc/91/88/15/556918815.db2.gz MZNBBBKPCWGQGY-ZIAGYGMSSA-N 1 2 428.489 1.679 40 0 IDABLO COc1cc2c(cc1C[N@H+]1CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@H](C)C4)nc3C1)OCO2 ZINC000072347314 556918818 /nfs/dbraw/zinc/91/88/18/556918818.db2.gz MZNBBBKPCWGQGY-ZIAGYGMSSA-N 1 2 428.489 1.679 40 0 IDABLO NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)C[NH2+][C@@H]2C=CS(=O)(=O)C2)CC1 ZINC000072397041 556970041 /nfs/dbraw/zinc/97/00/41/556970041.db2.gz XLMSTZNZSJVTLO-MRXNPFEDSA-N 1 2 446.504 1.079 40 0 IDABLO Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[NH2+][C@@H]3C=CS(=O)(=O)C3)CC2)n1 ZINC000257234461 556984854 /nfs/dbraw/zinc/98/48/54/556984854.db2.gz GTPNNFNMZJEONX-BHIYHBOVSA-N 1 2 443.573 1.772 40 0 IDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2 ZINC000020800036 557018427 /nfs/dbraw/zinc/01/84/27/557018427.db2.gz UTTRHOVYRBLUFA-SNVBAGLBSA-N 1 2 436.394 1.979 40 0 IDABLO O=C(NCCCn1cc[nH+]c1)C1=NO[C@@]2(C1)CCCN(Cc1nc(C(F)(F)F)c[nH]1)C2 ZINC000585101080 557036030 /nfs/dbraw/zinc/03/60/30/557036030.db2.gz BQWQOQXSVODNQO-GOSISDBHSA-N 1 2 439.442 1.942 40 0 IDABLO Cc1cc2c(c(Br)c1C)OC[C@@](C[NH+]1CCOCC1)(N1CCOCC1)[C@H]2O ZINC000022942759 557054471 /nfs/dbraw/zinc/05/44/71/557054471.db2.gz IKDQRRJWCKHGHC-VQTJNVASSA-N 1 2 441.366 1.895 40 0 IDABLO COc1ccc([C@H]2CC(=O)c3c(C)nc(N4CC[NH+](CCO)CC4)nc3C2)c(OC)c1 ZINC000021123178 557135301 /nfs/dbraw/zinc/13/53/01/557135301.db2.gz IAVLNTNAGOVYCK-MRXNPFEDSA-N 1 2 426.517 1.829 40 0 IDABLO COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000006148960 557146316 /nfs/dbraw/zinc/14/63/16/557146316.db2.gz NMAPKVWHIZMFHZ-HXUWFJFHSA-N 1 2 442.520 2.000 40 0 IDABLO COc1ccc(OC)c(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000216438671 557146369 /nfs/dbraw/zinc/14/63/69/557146369.db2.gz ALINRKSEBYZJMD-UHFFFAOYSA-N 1 2 444.513 1.972 40 0 IDABLO CC(C)n1c2c(nc1C(=O)NCC[NH+]1CCOCC1)CN(C(=O)c1cccnc1)CC2 ZINC000096147126 557177019 /nfs/dbraw/zinc/17/70/19/557177019.db2.gz REFONOIEHROEBU-UHFFFAOYSA-N 1 2 426.521 1.120 40 0 IDABLO CC(=O)NCC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CC[N@H+]2Cc1ccccc1 ZINC000096230410 557184876 /nfs/dbraw/zinc/18/48/76/557184876.db2.gz NUUWLRDXFVATNB-UHFFFAOYSA-N 1 2 449.555 1.736 40 0 IDABLO CC(=O)NCC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CC[N@@H+]2Cc1ccccc1 ZINC000096230410 557184883 /nfs/dbraw/zinc/18/48/83/557184883.db2.gz NUUWLRDXFVATNB-UHFFFAOYSA-N 1 2 449.555 1.736 40 0 IDABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589780 557250379 /nfs/dbraw/zinc/25/03/79/557250379.db2.gz PLVFOISKYFMBNU-RXVVDRJESA-N 1 2 438.532 1.857 40 0 IDABLO COc1ccc2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000057640338 557256057 /nfs/dbraw/zinc/25/60/57/557256057.db2.gz PWNPNADXHWJVSA-GOSISDBHSA-N 1 2 428.493 1.087 40 0 IDABLO COc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000057640338 557256059 /nfs/dbraw/zinc/25/60/59/557256059.db2.gz PWNPNADXHWJVSA-GOSISDBHSA-N 1 2 428.493 1.087 40 0 IDABLO Cc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)=N2)cc1 ZINC000014607002 557447319 /nfs/dbraw/zinc/44/73/19/557447319.db2.gz ZNSFAHBPRQZHBD-LJQANCHMSA-N 1 2 449.511 1.725 40 0 IDABLO COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1F ZINC000223655678 557498099 /nfs/dbraw/zinc/49/80/99/557498099.db2.gz KHOXJSRTVBSBDR-UHFFFAOYSA-N 1 2 443.522 1.571 40 0 IDABLO COCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000019824853 557508520 /nfs/dbraw/zinc/50/85/20/557508520.db2.gz ZDUGQLASATXPTQ-UHFFFAOYSA-N 1 2 434.562 1.192 40 0 IDABLO CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1OC ZINC000223784076 557512667 /nfs/dbraw/zinc/51/26/67/557512667.db2.gz HSQZGHGAXJETLL-UHFFFAOYSA-N 1 2 446.529 1.243 40 0 IDABLO COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000223839480 557519306 /nfs/dbraw/zinc/51/93/06/557519306.db2.gz MWCPSWZHQXDNCJ-UHFFFAOYSA-N 1 2 431.514 1.970 40 0 IDABLO CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)ccc21 ZINC000223845881 557519997 /nfs/dbraw/zinc/51/99/97/557519997.db2.gz IKEILYQGZHGPFB-UHFFFAOYSA-N 1 2 442.541 1.784 40 0 IDABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(N2CCOCC2)cc(N2CCCCCC2)n1 ZINC000225903923 557790063 /nfs/dbraw/zinc/79/00/63/557790063.db2.gz FSRNQZDWXQNLSF-UHFFFAOYSA-N 1 2 449.625 1.312 40 0 IDABLO C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225903725 557790068 /nfs/dbraw/zinc/79/00/68/557790068.db2.gz JNYIQGHGWGMQQM-KRWDZBQOSA-N 1 2 449.625 1.168 40 0 IDABLO CCCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257202661 568666388 /nfs/dbraw/zinc/66/63/88/568666388.db2.gz AMTYKDSMAKSKSC-WJPUGNRLSA-N 1 2 448.531 1.982 40 0 IDABLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257242896 568684910 /nfs/dbraw/zinc/68/49/10/568684910.db2.gz IEQIROCXSDCKHY-KNBMTAEXSA-N 1 2 434.504 1.728 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C[C@@H]2O ZINC000257256793 568691913 /nfs/dbraw/zinc/69/19/13/568691913.db2.gz KMYQUAJOCQJZHO-RDJZCZTQSA-N 1 2 435.468 1.505 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C[C@@H]2O ZINC000257256793 568691917 /nfs/dbraw/zinc/69/19/17/568691917.db2.gz KMYQUAJOCQJZHO-RDJZCZTQSA-N 1 2 435.468 1.505 40 0 IDABLO O=C1CO[C@@H]2C[N@@H+](Cc3ccnc(N4CCOCC4)n3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000257262580 568694348 /nfs/dbraw/zinc/69/43/48/568694348.db2.gz LLZKMFQXOALQPY-WOJBJXKFSA-N 1 2 427.480 1.064 40 0 IDABLO O=C1CO[C@@H]2C[N@H+](Cc3ccnc(N4CCOCC4)n3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000257262580 568694352 /nfs/dbraw/zinc/69/43/52/568694352.db2.gz LLZKMFQXOALQPY-WOJBJXKFSA-N 1 2 427.480 1.064 40 0 IDABLO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C[C@]12CCCO2 ZINC000257332387 568725537 /nfs/dbraw/zinc/72/55/37/568725537.db2.gz XXCKFZLXLWVFKD-TZIWHRDSSA-N 1 2 437.562 1.680 40 0 IDABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C[C@]12CCCO2 ZINC000257332387 568725539 /nfs/dbraw/zinc/72/55/39/568725539.db2.gz XXCKFZLXLWVFKD-TZIWHRDSSA-N 1 2 437.562 1.680 40 0 IDABLO Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccn(C)n4)C[C@@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306131101 568766316 /nfs/dbraw/zinc/76/63/16/568766316.db2.gz JWPMBDAISMJLJF-IIBYNOLFSA-N 1 2 439.545 1.577 40 0 IDABLO Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccnn4C)C[C@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306138806 568770668 /nfs/dbraw/zinc/77/06/68/568770668.db2.gz SHYBQIBLPFIMKM-HRAATJIYSA-N 1 2 439.545 1.577 40 0 IDABLO CC(=O)N1CCC([N@@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)NCCO)C2)CC1 ZINC000019696221 569229691 /nfs/dbraw/zinc/22/96/91/569229691.db2.gz UFLFAFNEEQNYED-KRWDZBQOSA-N 1 2 432.546 1.403 40 0 IDABLO CC(=O)N1CCC([N@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)NCCO)C2)CC1 ZINC000019696221 569229692 /nfs/dbraw/zinc/22/96/92/569229692.db2.gz UFLFAFNEEQNYED-KRWDZBQOSA-N 1 2 432.546 1.403 40 0 IDABLO CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCC[NH+]1CCOCC1 ZINC000019696588 569229824 /nfs/dbraw/zinc/22/98/24/569229824.db2.gz IPRWBWSENPGOLY-QHCPKHFHSA-N 1 2 426.517 1.714 40 0 IDABLO C[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCOCC2)C(=O)C1 ZINC000253395672 569264593 /nfs/dbraw/zinc/26/45/93/569264593.db2.gz CDFRJXWVTCPOOY-RXAWACCASA-N 1 2 427.545 1.781 40 0 IDABLO C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCOCC2)C(=O)C1 ZINC000253395672 569264594 /nfs/dbraw/zinc/26/45/94/569264594.db2.gz CDFRJXWVTCPOOY-RXAWACCASA-N 1 2 427.545 1.781 40 0 IDABLO CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000030880007 291321205 /nfs/dbraw/zinc/32/12/05/291321205.db2.gz JOIPKKVNTNNYKK-ACRUOGEOSA-N 1 2 443.592 1.900 40 0 biogenic,in-vitro IDABLO Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4[nH+]ccn4C)[C@@H]3CO)cc2)no1 ZINC000072321484 291326015 /nfs/dbraw/zinc/32/60/15/291326015.db2.gz CGVAENXADFOFMX-YLJYHZDGSA-N 1 2 425.445 1.430 40 0 biogenic,in-vitro IDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccnc3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225389080 291328982 /nfs/dbraw/zinc/32/89/82/291328982.db2.gz MZZQOPIAAWKUOO-MOPGFXCFSA-N 1 2 426.904 1.294 40 0 biogenic,in-vitro IDABLO COc1cc2c(cc1C[N@@H+]1CCc3c(=O)[nH]c(N4C[C@H](C)O[C@@H](C)C4)nc3C1)OCO2 ZINC000012184681 522997517 /nfs/dbraw/zinc/99/75/17/522997517.db2.gz MZNBBBKPCWGQGY-KBPBESRZSA-N 1 2 428.489 1.679 40 0 IDABLO COc1cc2c(cc1C[N@H+]1CCc3c(=O)[nH]c(N4C[C@H](C)O[C@@H](C)C4)nc3C1)OCO2 ZINC000012184681 522997530 /nfs/dbraw/zinc/99/75/30/522997530.db2.gz MZNBBBKPCWGQGY-KBPBESRZSA-N 1 2 428.489 1.679 40 0 IDABLO CN(Cc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)S(C)(=O)=O ZINC000022522636 523271877 /nfs/dbraw/zinc/27/18/77/523271877.db2.gz QOQLDOKVOHKLRG-UHFFFAOYSA-N 1 2 428.514 1.959 40 0 IDABLO O=C(Nc1ccc(F)cc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCN(c3ccccc3)CC2)[C@H]1O ZINC000012489791 527202034 /nfs/dbraw/zinc/20/20/34/527202034.db2.gz OPJXZSIXQLIUFX-CSEOROSGSA-N 1 2 442.491 1.623 40 0 biogenic,in-vitro IDABLO O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCCn1cc[nH+]c1 ZINC000408591573 555951758 /nfs/dbraw/zinc/95/17/58/555951758.db2.gz JQASJSRZOVNBLM-UHFFFAOYSA-N 1 2 428.514 1.947 40 0 IDABLO Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000408597791 555956034 /nfs/dbraw/zinc/95/60/34/555956034.db2.gz YGNAXASPRSDIQI-NRFANRHFSA-N 1 2 431.558 1.333 40 0 IDABLO O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCC[NH+]1CCOCC1 ZINC000408593779 555959975 /nfs/dbraw/zinc/95/99/75/555959975.db2.gz OENDDBCNGJXZJE-UHFFFAOYSA-N 1 2 445.541 1.265 40 0 IDABLO CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408603520 555972662 /nfs/dbraw/zinc/97/26/62/555972662.db2.gz KOEQSUSCROYAJY-KRWDZBQOSA-N 1 2 427.567 1.227 40 0 IDABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)Cc2ccc(F)cc2)cc1 ZINC000408622492 555991344 /nfs/dbraw/zinc/99/13/44/555991344.db2.gz OVGVAEKVWCFVIE-UHFFFAOYSA-N 1 2 449.548 1.773 40 0 IDABLO COc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)Cc2ccccc2)cc1 ZINC000408624910 555995337 /nfs/dbraw/zinc/99/53/37/555995337.db2.gz VSBCBQWGPNAFAC-UHFFFAOYSA-N 1 2 447.557 1.335 40 0 IDABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCCCC1)OCO3 ZINC000006445184 556087847 /nfs/dbraw/zinc/08/78/47/556087847.db2.gz ZRNVWJMCEYFMAK-YWZLYKJASA-N 1 2 438.488 1.998 40 0 IDABLO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C(=O)N1CCC(C)CC1 ZINC000408706078 556112579 /nfs/dbraw/zinc/11/25/79/556112579.db2.gz UTSMERIEGNCSKK-UHFFFAOYSA-N 1 2 439.578 1.568 40 0 IDABLO COc1ccc(OC)c(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000044840423 556668370 /nfs/dbraw/zinc/66/83/70/556668370.db2.gz GNHHGNJAGFXIPW-UHFFFAOYSA-N 1 2 444.513 1.972 40 0 IDABLO Cc1csc2c([C@@H]3CCCN(C(=O)CCC(=O)N4CCC[C@H]4C(N)=O)C3)[nH+]c(C)n12 ZINC000019240399 556726222 /nfs/dbraw/zinc/72/62/22/556726222.db2.gz OILLKQDLKPSJOZ-CVEARBPZSA-N 1 2 431.562 1.975 40 0 IDABLO CCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895454 556740990 /nfs/dbraw/zinc/74/09/90/556740990.db2.gz HMJKCCBDTYEIOT-UHFFFAOYSA-N 1 2 434.562 1.574 40 0 IDABLO O=C(C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)N1CCN(c2ccccc2F)CC1 ZINC000019349856 556744688 /nfs/dbraw/zinc/74/46/88/556744688.db2.gz NFWKTEPWVHOGCZ-UHFFFAOYSA-N 1 2 440.523 1.216 40 0 IDABLO O=C(C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)N1CCN(c2ccccc2F)CC1 ZINC000019349856 556744691 /nfs/dbraw/zinc/74/46/91/556744691.db2.gz NFWKTEPWVHOGCZ-UHFFFAOYSA-N 1 2 440.523 1.216 40 0 IDABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1OC ZINC000019561025 556802405 /nfs/dbraw/zinc/80/24/05/556802405.db2.gz DPQHMAROIZVWSI-KRWDZBQOSA-N 1 2 448.545 1.854 40 0 IDABLO COc1ccc(C[N@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1OC ZINC000019561025 556802406 /nfs/dbraw/zinc/80/24/06/556802406.db2.gz DPQHMAROIZVWSI-KRWDZBQOSA-N 1 2 448.545 1.854 40 0 IDABLO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3c[nH]cn3)CC1)C2=O ZINC000019699425 556858910 /nfs/dbraw/zinc/85/89/10/556858910.db2.gz ZLQLVMVSJAAYFF-UHFFFAOYSA-N 1 2 436.516 1.601 40 0 IDABLO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3cnc[nH]3)CC1)C2=O ZINC000019699425 556858913 /nfs/dbraw/zinc/85/89/13/556858913.db2.gz ZLQLVMVSJAAYFF-UHFFFAOYSA-N 1 2 436.516 1.601 40 0 IDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327613 556904520 /nfs/dbraw/zinc/90/45/20/556904520.db2.gz UGKSZTJAZAHFGG-HXOBKFHXSA-N 1 2 429.517 1.240 40 0 IDABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019762353 556906619 /nfs/dbraw/zinc/90/66/19/556906619.db2.gz OEUGZUKBRNEINN-QFIPXVFZSA-N 1 2 435.528 1.991 40 0 IDABLO CN(C)c1ncccc1C[N@H+]1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019762353 556906622 /nfs/dbraw/zinc/90/66/22/556906622.db2.gz OEUGZUKBRNEINN-QFIPXVFZSA-N 1 2 435.528 1.991 40 0 IDABLO Cc1nc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019766495 556911566 /nfs/dbraw/zinc/91/15/66/556911566.db2.gz MGKQHEKKVSCPAX-UHFFFAOYSA-N 1 2 430.534 1.532 40 0 IDABLO CCc1c(C)nc(NC2CC[NH+](CC(=O)Nc3ccc4c(c3)OCCO4)CC2)[nH]c1=O ZINC000072342170 556914685 /nfs/dbraw/zinc/91/46/85/556914685.db2.gz OXVIPXPNPPDQML-UHFFFAOYSA-N 1 2 427.505 1.927 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008268 556959322 /nfs/dbraw/zinc/95/93/22/556959322.db2.gz QQSMALRMNSGIOR-HXUWFJFHSA-N 1 2 435.521 1.164 40 0 IDABLO CC(C)C[N@@H+]1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)Cc1ccc(F)cn1)C2 ZINC000585101561 557034738 /nfs/dbraw/zinc/03/47/38/557034738.db2.gz MNZWUZOOQGTARF-JOCHJYFZSA-N 1 2 428.512 1.473 40 0 IDABLO CC(C)C[N@H+]1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)Cc1ccc(F)cn1)C2 ZINC000585101561 557034744 /nfs/dbraw/zinc/03/47/44/557034744.db2.gz MNZWUZOOQGTARF-JOCHJYFZSA-N 1 2 428.512 1.473 40 0 IDABLO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585103576 557036063 /nfs/dbraw/zinc/03/60/63/557036063.db2.gz HLDHNQHQVQTMJM-HXUWFJFHSA-N 1 2 431.533 1.489 40 0 IDABLO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585103576 557036066 /nfs/dbraw/zinc/03/60/66/557036066.db2.gz HLDHNQHQVQTMJM-HXUWFJFHSA-N 1 2 431.533 1.489 40 0 IDABLO COc1ncc(C[N@@H+]2CCO[C@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C ZINC000585102321 557036708 /nfs/dbraw/zinc/03/67/08/557036708.db2.gz ZPGUCKPFCGAFEU-AVRDEDQJSA-N 1 2 427.505 1.173 40 0 IDABLO COc1ncc(C[N@H+]2CCO[C@]3(CO[C@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C ZINC000585102321 557036710 /nfs/dbraw/zinc/03/67/10/557036710.db2.gz ZPGUCKPFCGAFEU-AVRDEDQJSA-N 1 2 427.505 1.173 40 0 IDABLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@]2(CO[C@H](C(=O)NCc3ncc(C)cn3)C2)C1 ZINC000585102218 557036906 /nfs/dbraw/zinc/03/69/06/557036906.db2.gz QHLFDHSBMKOGID-WMZHIEFXSA-N 1 2 436.516 1.417 40 0 IDABLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@]2(CO[C@H](C(=O)NCc3ncc(C)cn3)C2)C1 ZINC000585102218 557036907 /nfs/dbraw/zinc/03/69/07/557036907.db2.gz QHLFDHSBMKOGID-WMZHIEFXSA-N 1 2 436.516 1.417 40 0 IDABLO COc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CC[NH+](CCO)CC4)nc3C2)c(OC)c1 ZINC000021123175 557135295 /nfs/dbraw/zinc/13/52/95/557135295.db2.gz IAVLNTNAGOVYCK-INIZCTEOSA-N 1 2 426.517 1.829 40 0 IDABLO CCCS(=O)(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251494 557189012 /nfs/dbraw/zinc/18/90/12/557189012.db2.gz YKKNTEZEGLWMIS-NQIIRXRSSA-N 1 2 436.578 1.199 40 0 IDABLO COc1ccc(S(=O)(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)cc1 ZINC000096254927 557189281 /nfs/dbraw/zinc/18/92/81/557189281.db2.gz HOLIEDDQMJDJBM-UHFFFAOYSA-N 1 2 447.561 1.177 40 0 IDABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589787 557250356 /nfs/dbraw/zinc/25/03/56/557250356.db2.gz PLVFOISKYFMBNU-NQIIRXRSSA-N 1 2 438.532 1.857 40 0 IDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3nc(-c4ccccc4)no3)c2)CC1 ZINC000219973950 557273528 /nfs/dbraw/zinc/27/35/28/557273528.db2.gz UBCURDLEYPGNNI-UHFFFAOYSA-N 1 2 441.513 1.603 40 0 IDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220704821 557308788 /nfs/dbraw/zinc/30/87/88/557308788.db2.gz BYPVCACOHBRRAT-MRXNPFEDSA-N 1 2 438.377 1.986 40 0 IDABLO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc2c(c1)OCCO2 ZINC000104789769 557328500 /nfs/dbraw/zinc/32/85/00/557328500.db2.gz GAPBBOIZOZVFTG-MRXNPFEDSA-N 1 2 445.541 1.885 40 0 IDABLO COCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000026100379 557437818 /nfs/dbraw/zinc/43/78/18/557437818.db2.gz XEERJLZWZMICRJ-UHFFFAOYSA-N 1 2 432.590 1.882 40 0 IDABLO O=C(Nc1nnc(S(=O)(=O)NCCC[NH+]2CCOCC2)s1)c1ccccc1Cl ZINC000225795300 557778508 /nfs/dbraw/zinc/77/85/08/557778508.db2.gz IAEBRMJCHPEGGM-UHFFFAOYSA-N 1 2 445.954 1.444 40 0 IDABLO CN1C(=O)N(CC(=O)N2CCC[C@H]2c2cncc(-n3cc[nH+]c3)n2)C(=O)C12CCCCC2 ZINC000257200953 568665457 /nfs/dbraw/zinc/66/54/57/568665457.db2.gz AFMUDYHSPUKJBN-KRWDZBQOSA-N 1 2 437.504 1.923 40 0 IDABLO CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCNC(=O)c1cccnc1 ZINC000257308851 568714892 /nfs/dbraw/zinc/71/48/92/568714892.db2.gz TYKGAGDEWBDKSQ-DEOSSOPVSA-N 1 2 448.527 1.635 40 0 IDABLO NC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000257336884 568727315 /nfs/dbraw/zinc/72/73/15/568727315.db2.gz YQKWHCGQSXYCJJ-FQEVSTJZSA-N 1 2 447.532 1.230 40 0 IDABLO NC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000257336884 568727318 /nfs/dbraw/zinc/72/73/18/568727318.db2.gz YQKWHCGQSXYCJJ-FQEVSTJZSA-N 1 2 447.532 1.230 40 0 IDABLO COCCN1CC2(CC[NH+](Cc3ccncc3F)CC2)Oc2ncccc2S1(=O)=O ZINC000306137684 568770105 /nfs/dbraw/zinc/77/01/05/568770105.db2.gz RDCAWRUXCSRXKU-UHFFFAOYSA-N 1 2 436.509 1.680 40 0 IDABLO O=C([O-])CNc1nc(NCC[NH+]2CCOCC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329062412 568810844 /nfs/dbraw/zinc/81/08/44/568810844.db2.gz WXWRTKMNHSWLPM-UHFFFAOYSA-N 1 2 441.410 1.127 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000247816698 569206227 /nfs/dbraw/zinc/20/62/27/569206227.db2.gz GECBPMWPXOXFKH-ZQAYVECASA-N 1 2 437.452 1.182 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000247816698 569206229 /nfs/dbraw/zinc/20/62/29/569206229.db2.gz GECBPMWPXOXFKH-ZQAYVECASA-N 1 2 437.452 1.182 40 0 IDABLO COc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1S(=O)(=O)NC1CCCCC1 ZINC000008475828 569218882 /nfs/dbraw/zinc/21/88/82/569218882.db2.gz NAKTXTFAEKLLLL-UHFFFAOYSA-N 1 2 425.551 1.368 40 0 IDABLO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2C[N@H+](CCN3CCCC3=O)CCO2)n1 ZINC000019692681 569228145 /nfs/dbraw/zinc/22/81/45/569228145.db2.gz DSDCBSASADLDGW-LJQANCHMSA-N 1 2 438.532 1.304 40 0 IDABLO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2C[N@@H+](CCN3CCCC3=O)CCO2)n1 ZINC000019692681 569228146 /nfs/dbraw/zinc/22/81/46/569228146.db2.gz DSDCBSASADLDGW-LJQANCHMSA-N 1 2 438.532 1.304 40 0 IDABLO Cc1nc([C@H]2CCN(C(=O)C[NH+]3Cc4ccccc4C3)C2)ncc1C(=O)N1CCOCC1 ZINC000019757765 569237227 /nfs/dbraw/zinc/23/72/27/569237227.db2.gz ZSJOEYLKYMECFY-FQEVSTJZSA-N 1 2 435.528 1.589 40 0 IDABLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@H](c3ncc(C(N)=O)c(C)n3)C1)CC2 ZINC000019758225 569237363 /nfs/dbraw/zinc/23/73/63/569237363.db2.gz CQQPEVLEZAEQIJ-INIZCTEOSA-N 1 2 439.516 1.275 40 0 IDABLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@H](c3ncc(C(N)=O)c(C)n3)C1)CC2 ZINC000019758225 569237365 /nfs/dbraw/zinc/23/73/65/569237365.db2.gz CQQPEVLEZAEQIJ-INIZCTEOSA-N 1 2 439.516 1.275 40 0 IDABLO Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4[nH+]ccn4C)[C@@H]3CO)cc2)nn1C ZINC000072321514 291326048 /nfs/dbraw/zinc/32/60/48/291326048.db2.gz YQNNWRRPNJTMFW-WIYYLYMNSA-N 1 2 438.488 1.175 40 0 biogenic,in-vitro IDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)CC1 ZINC000020634612 520583200 /nfs/dbraw/zinc/58/32/00/520583200.db2.gz COWKZIPAMUPNCH-KRWDZBQOSA-N 1 2 446.456 1.167 40 0 IDABLO CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCC[NH+]1CCOCC1 ZINC000022249049 520783535 /nfs/dbraw/zinc/78/35/35/520783535.db2.gz MAWSGURGKGJARV-UHFFFAOYSA-N 1 2 433.958 1.198 40 0 IDABLO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCOCC3)C2)cc1C ZINC000408592822 555954332 /nfs/dbraw/zinc/95/43/32/555954332.db2.gz LZGGUFQHBZPQKR-GOSISDBHSA-N 1 2 439.578 1.243 40 0 IDABLO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3cc[nH+]c3)C2)c1 ZINC000408597818 555955899 /nfs/dbraw/zinc/95/58/99/555955899.db2.gz YMCXEXFQDDKPDC-MRXNPFEDSA-N 1 2 436.534 1.508 40 0 IDABLO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1NC(=O)c1ccccc1 ZINC000408598387 555956790 /nfs/dbraw/zinc/95/67/90/555956790.db2.gz ZROCSEOKOCIBAT-UHFFFAOYSA-N 1 2 433.530 1.948 40 0 IDABLO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000408594892 555961145 /nfs/dbraw/zinc/96/11/45/555961145.db2.gz RBGJIQSYZXBLMS-UHFFFAOYSA-N 1 2 433.958 1.102 40 0 IDABLO Cc1cc(C)cc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)c1 ZINC000408603071 555972166 /nfs/dbraw/zinc/97/21/66/555972166.db2.gz FEDSQCIZILJPRA-UHFFFAOYSA-N 1 2 431.558 1.947 40 0 IDABLO COc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408616575 555987747 /nfs/dbraw/zinc/98/77/47/555987747.db2.gz AQBPXVIIIUYYHE-UHFFFAOYSA-N 1 2 447.557 1.647 40 0 IDABLO CCCCNS(=O)(=O)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000408636715 556019653 /nfs/dbraw/zinc/01/96/53/556019653.db2.gz UDZBQPJPTGFENM-UHFFFAOYSA-N 1 2 433.958 1.246 40 0 IDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)CC1 ZINC000034863180 556584308 /nfs/dbraw/zinc/58/43/08/556584308.db2.gz PPWBSDWJPXUGAB-UHFFFAOYSA-N 1 2 446.548 1.724 40 0 IDABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000016293355 556598417 /nfs/dbraw/zinc/59/84/17/556598417.db2.gz WRGDDQVOFAFDQJ-UHFFFAOYSA-N 1 2 433.530 1.623 40 0 IDABLO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1OC ZINC000038756408 556618163 /nfs/dbraw/zinc/61/81/63/556618163.db2.gz QGKDQXJPOCMSOR-UHFFFAOYSA-N 1 2 444.513 1.972 40 0 IDABLO COC(=O)c1cccc(C[N@@H+]2C[C@@H]3C[C@@H](O)CN3C3(CN(C(=O)Cc4ccccc4)C3)C2)c1 ZINC000514290029 556626134 /nfs/dbraw/zinc/62/61/34/556626134.db2.gz RLGDWZHBNKRQTR-XZOQPEGZSA-N 1 2 449.551 1.548 40 0 biogenic,in-vitro IDABLO COC(=O)c1cccc(C[N@H+]2C[C@@H]3C[C@@H](O)CN3C3(CN(C(=O)Cc4ccccc4)C3)C2)c1 ZINC000514290029 556626136 /nfs/dbraw/zinc/62/61/36/556626136.db2.gz RLGDWZHBNKRQTR-XZOQPEGZSA-N 1 2 449.551 1.548 40 0 biogenic,in-vitro IDABLO C[C@@H]1C[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)COCCC(=O)N3)C[C@H](C)O1 ZINC000019497439 556770061 /nfs/dbraw/zinc/77/00/61/556770061.db2.gz XIMKJQQUVBUZAU-RYUMIWLPSA-N 1 2 437.487 1.275 40 0 IDABLO C[C@@H]1C[N@H+](CC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)COCCC(=O)N3)C[C@H](C)O1 ZINC000019497439 556770064 /nfs/dbraw/zinc/77/00/64/556770064.db2.gz XIMKJQQUVBUZAU-RYUMIWLPSA-N 1 2 437.487 1.275 40 0 IDABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCCC1)OCCO3 ZINC000006445197 556833465 /nfs/dbraw/zinc/83/34/65/556833465.db2.gz ADMGOFUADQNYAL-QRWLVFNGSA-N 1 2 438.488 1.650 40 0 IDABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019762351 556906695 /nfs/dbraw/zinc/90/66/95/556906695.db2.gz OEUGZUKBRNEINN-JOCHJYFZSA-N 1 2 435.528 1.991 40 0 IDABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019762351 556906698 /nfs/dbraw/zinc/90/66/98/556906698.db2.gz OEUGZUKBRNEINN-JOCHJYFZSA-N 1 2 435.528 1.991 40 0 IDABLO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000019817947 556920552 /nfs/dbraw/zinc/92/05/52/556920552.db2.gz DLXCTVLIPLEHDG-IRXDYDNUSA-N 1 2 432.477 1.176 40 0 IDABLO C[NH+]1CCN(C(=O)c2ccc(C3CCN(C(=O)COC[C@@H]4CCCO4)CC3)nc2)CC1 ZINC000072374411 556947940 /nfs/dbraw/zinc/94/79/40/556947940.db2.gz TXJAONUBGDCQEB-FQEVSTJZSA-N 1 2 430.549 1.371 40 0 IDABLO O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCCCn1cc[nH+]c1 ZINC000019935491 556950699 /nfs/dbraw/zinc/95/06/99/556950699.db2.gz KNWWOTHTPIDKFJ-UHFFFAOYSA-N 1 2 426.926 1.906 40 0 IDABLO O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000409125604 556965097 /nfs/dbraw/zinc/96/50/97/556965097.db2.gz DFEZPSLLPNTRFM-UHFFFAOYSA-N 1 2 435.477 1.177 40 0 IDABLO O=C(C[N@H+]1CC[C@@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2)N1CCCC1 ZINC000585101718 557034707 /nfs/dbraw/zinc/03/47/07/557034707.db2.gz BBUADQIKOBRECK-JOCHJYFZSA-N 1 2 426.496 1.709 40 0 IDABLO O=C(C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2)N1CCCC1 ZINC000585101718 557034712 /nfs/dbraw/zinc/03/47/12/557034712.db2.gz BBUADQIKOBRECK-JOCHJYFZSA-N 1 2 426.496 1.709 40 0 IDABLO NC(=O)C1CCN(C(=O)[C@H]2C[N@H+](Cc3nc(C(F)(F)F)c[nH]3)CC23CCOCC3)CC1 ZINC000585101989 557035791 /nfs/dbraw/zinc/03/57/91/557035791.db2.gz RDIHARGQYWNAJL-CQSZACIVSA-N 1 2 443.470 1.381 40 0 IDABLO NC(=O)C1CCN(C(=O)[C@H]2C[N@@H+](Cc3nc(C(F)(F)F)c[nH]3)CC23CCOCC3)CC1 ZINC000585101989 557035793 /nfs/dbraw/zinc/03/57/93/557035793.db2.gz RDIHARGQYWNAJL-CQSZACIVSA-N 1 2 443.470 1.381 40 0 IDABLO O=C(NCCCn1cc[nH+]c1)C1=NO[C@]2(C1)CCCN(Cc1nc(C(F)(F)F)c[nH]1)C2 ZINC000585101081 557036112 /nfs/dbraw/zinc/03/61/12/557036112.db2.gz BQWQOQXSVODNQO-SFHVURJKSA-N 1 2 439.442 1.942 40 0 IDABLO Cc1cc2c(cc1Br)[C@H](O)[C@@](C[NH+]1CCOCC1)(N1CCOCC1)CO2 ZINC000022941724 557053734 /nfs/dbraw/zinc/05/37/34/557053734.db2.gz JMBQVTAGEXASNE-OALUTQOASA-N 1 2 427.339 1.587 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)cc1F ZINC000096083914 557168909 /nfs/dbraw/zinc/16/89/09/557168909.db2.gz FVVOVRJQDCHSPI-UHFFFAOYSA-N 1 2 449.552 1.616 40 0 IDABLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn21 ZINC000096156659 557181449 /nfs/dbraw/zinc/18/14/49/557181449.db2.gz BYCVBLUNALLTLC-OAQYLSRUSA-N 1 2 442.527 1.938 40 0 IDABLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn21 ZINC000096156659 557181452 /nfs/dbraw/zinc/18/14/52/557181452.db2.gz BYCVBLUNALLTLC-OAQYLSRUSA-N 1 2 442.527 1.938 40 0 IDABLO O=C(N1CCCC1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251498 557188898 /nfs/dbraw/zinc/18/88/98/557188898.db2.gz JVMWIBRFALYLSH-CVDCTZTESA-N 1 2 427.549 1.675 40 0 IDABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589790 557250322 /nfs/dbraw/zinc/25/03/22/557250322.db2.gz PLVFOISKYFMBNU-WIYYLYMNSA-N 1 2 438.532 1.857 40 0 IDABLO COCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCOCC2)CC4)C1 ZINC000100233639 557250568 /nfs/dbraw/zinc/25/05/68/557250568.db2.gz HTFZWPJCLDSROU-HNNXBMFYSA-N 1 2 429.521 1.324 40 0 IDABLO COCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCOCC2)CC4)C1 ZINC000100233639 557250571 /nfs/dbraw/zinc/25/05/71/557250571.db2.gz HTFZWPJCLDSROU-HNNXBMFYSA-N 1 2 429.521 1.324 40 0 IDABLO Cc1nc(NC2CC[NH+](Cc3nnnn3Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1C ZINC000013564756 557341195 /nfs/dbraw/zinc/34/11/95/557341195.db2.gz LHYRFGPFRGNIQY-UHFFFAOYSA-N 1 2 438.492 1.227 40 0 IDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000222776156 557385940 /nfs/dbraw/zinc/38/59/40/557385940.db2.gz CAADLHHYIQRGPV-FQEVSTJZSA-N 1 2 425.529 1.931 40 0 IDABLO O=C(Nc1ccc2c(c1)OCCO2)[C@H]1C=C([O-])NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606986 557447253 /nfs/dbraw/zinc/44/72/53/557447253.db2.gz SCWBBBOVTLNGNK-LJQANCHMSA-N 1 2 449.511 1.459 40 0 IDABLO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1 ZINC000019210512 557497902 /nfs/dbraw/zinc/49/79/02/557497902.db2.gz WAHYWLQOORMQTM-UHFFFAOYSA-N 1 2 445.541 1.834 40 0 IDABLO COCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000019822729 557507972 /nfs/dbraw/zinc/50/79/72/557507972.db2.gz ZRWBGDBYVQBDFO-UHFFFAOYSA-N 1 2 432.590 1.882 40 0 IDABLO Cc1cccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)c1 ZINC000019973432 557511658 /nfs/dbraw/zinc/51/16/58/557511658.db2.gz PVUGTRODGHZLAS-UHFFFAOYSA-N 1 2 445.541 1.834 40 0 IDABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)CC1 ZINC000225272976 557707645 /nfs/dbraw/zinc/70/76/45/557707645.db2.gz FYIUTCWUHSZREA-LJQANCHMSA-N 1 2 445.541 1.334 40 0 IDABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1 ZINC000225903345 557789719 /nfs/dbraw/zinc/78/97/19/557789719.db2.gz BLKPNCJPIAHBTE-UHFFFAOYSA-N 1 2 446.606 1.637 40 0 IDABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(Oc2ccccc2)cc(N2CCOCC2)n1 ZINC000225903946 557789965 /nfs/dbraw/zinc/78/99/65/557789965.db2.gz JJJAWBQBZNWGAW-UHFFFAOYSA-N 1 2 444.561 1.724 40 0 IDABLO Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)Cc2ccccc2)c1 ZINC000225938694 557794787 /nfs/dbraw/zinc/79/47/87/557794787.db2.gz ODUHIIGCNSRABO-UHFFFAOYSA-N 1 2 445.585 1.943 40 0 IDABLO COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+]2CCOCC2)cc1 ZINC000257202740 568666494 /nfs/dbraw/zinc/66/64/94/568666494.db2.gz ANEMVVGGVOXADA-CZYKHXBRSA-N 1 2 430.476 1.846 40 0 IDABLO CNc1nc([C@@H]2CCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1C[N@H+](C)CC2 ZINC000257209373 568669503 /nfs/dbraw/zinc/66/95/03/568669503.db2.gz BQDDQJNHZPKYEF-CYBMUJFWSA-N 1 2 435.525 1.832 40 0 IDABLO CNc1nc([C@@H]2CCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1C[N@@H+](C)CC2 ZINC000257209373 568669504 /nfs/dbraw/zinc/66/95/04/568669504.db2.gz BQDDQJNHZPKYEF-CYBMUJFWSA-N 1 2 435.525 1.832 40 0 IDABLO CNC(=O)c1cccc([C@@H]2CN(CC(=O)NCCc3nc4ccccc4[nH]3)CC[N@@H+]2C)c1 ZINC000257227204 568677626 /nfs/dbraw/zinc/67/76/26/568677626.db2.gz FOCGHGDYVXFGNN-NRFANRHFSA-N 1 2 434.544 1.570 40 0 IDABLO CNC(=O)c1cccc([C@@H]2CN(CC(=O)NCCc3nc4ccccc4[nH]3)CC[N@H+]2C)c1 ZINC000257227204 568677628 /nfs/dbraw/zinc/67/76/28/568677628.db2.gz FOCGHGDYVXFGNN-NRFANRHFSA-N 1 2 434.544 1.570 40 0 IDABLO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC[C@@H]2O)CC1 ZINC000257242965 568685291 /nfs/dbraw/zinc/68/52/91/568685291.db2.gz IEXUIRXSHMZPLU-PMACEKPBSA-N 1 2 447.967 1.665 40 0 IDABLO COCCn1cnc2cc(C(=O)N(C)C[C@]3(O)CCCN(c4cc(C)[nH+]cn4)C3)ccc21 ZINC000257282039 568703104 /nfs/dbraw/zinc/70/31/04/568703104.db2.gz OSBUMIRGMFTOSP-HSZRJFAPSA-N 1 2 438.532 1.885 40 0 IDABLO Cc1[nH]c2ccc(CCC(=O)N3CC[C@H](n4cc(C)c(=O)[nH]c4=O)[C@@](C)(O)C3)cc2[nH+]1 ZINC000257286543 568705063 /nfs/dbraw/zinc/70/50/63/568705063.db2.gz PLZDTQUGYSPOFW-AVRDEDQJSA-N 1 2 425.489 1.599 40 0 IDABLO Cc1[nH]c2cc(CCC(=O)N3CC[C@H](n4cc(C)c(=O)[nH]c4=O)[C@@](C)(O)C3)ccc2[nH+]1 ZINC000257286543 568705066 /nfs/dbraw/zinc/70/50/66/568705066.db2.gz PLZDTQUGYSPOFW-AVRDEDQJSA-N 1 2 425.489 1.599 40 0 IDABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)CN4CCOCC4)CCO3)c2)n1 ZINC000257312093 568716315 /nfs/dbraw/zinc/71/63/15/568716315.db2.gz UMMJKHQTFLEFJM-HXUWFJFHSA-N 1 2 426.521 1.773 40 0 IDABLO COc1cc(C)ccc1S(=O)(=O)N1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306138971 568770884 /nfs/dbraw/zinc/77/08/84/568770884.db2.gz SLYKOOIBOZIQOT-WIYYLYMNSA-N 1 2 440.562 1.275 40 0 IDABLO COCCN1C[C@@]2(CC[N@H+](Cc3cccnc3OC)C2)Oc2ccccc2S1(=O)=O ZINC000306140149 568771579 /nfs/dbraw/zinc/77/15/79/568771579.db2.gz ULTSYMOCLIKMHY-NRFANRHFSA-N 1 2 433.530 1.764 40 0 IDABLO COCCN1C[C@@]2(CC[N@@H+](Cc3cccnc3OC)C2)Oc2ccccc2S1(=O)=O ZINC000306140149 568771580 /nfs/dbraw/zinc/77/15/80/568771580.db2.gz ULTSYMOCLIKMHY-NRFANRHFSA-N 1 2 433.530 1.764 40 0 IDABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCC[N@@H+]2CC(=O)N2CCNC2=O)n1 ZINC000019767186 569239688 /nfs/dbraw/zinc/23/96/88/569239688.db2.gz GDETUIYNXDHLDD-GOSISDBHSA-N 1 2 428.537 1.926 40 0 IDABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCC[N@H+]2CC(=O)N2CCNC2=O)n1 ZINC000019767186 569239689 /nfs/dbraw/zinc/23/96/89/569239689.db2.gz GDETUIYNXDHLDD-GOSISDBHSA-N 1 2 428.537 1.926 40 0 IDABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCC[N@@H+]2CC(=O)N2CCNC2=O)n1 ZINC000019767242 569239739 /nfs/dbraw/zinc/23/97/39/569239739.db2.gz ADODIBFZOPUOBY-LJQANCHMSA-N 1 2 436.516 1.794 40 0 IDABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCC[N@H+]2CC(=O)N2CCNC2=O)n1 ZINC000019767242 569239740 /nfs/dbraw/zinc/23/97/40/569239740.db2.gz ADODIBFZOPUOBY-LJQANCHMSA-N 1 2 436.516 1.794 40 0 IDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccn3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225389009 291328812 /nfs/dbraw/zinc/32/88/12/291328812.db2.gz BNYPCMWVOJPFAR-MOPGFXCFSA-N 1 2 426.904 1.294 40 0 biogenic,in-vitro IDABLO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000022524451 524360546 /nfs/dbraw/zinc/36/05/46/524360546.db2.gz WKRYMMPXIFXMRO-UHFFFAOYSA-N 1 2 444.513 1.972 40 0 IDABLO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000408590057 555947160 /nfs/dbraw/zinc/94/71/60/555947160.db2.gz GUNBIFAPAFNSSO-GOSISDBHSA-N 1 2 447.557 1.553 40 0 IDABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCOCC3)C2)cc1Cl ZINC000408595692 555962231 /nfs/dbraw/zinc/96/22/31/555962231.db2.gz SPWGEHDATDYGNA-OAHLLOKOSA-N 1 2 445.969 1.198 40 0 IDABLO CCOc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408618521 555982124 /nfs/dbraw/zinc/98/21/24/555982124.db2.gz JWGGFGQPVVPAAB-UHFFFAOYSA-N 1 2 447.557 1.729 40 0 IDABLO Cc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408619770 555988578 /nfs/dbraw/zinc/98/85/78/555988578.db2.gz NGSHXVYLCIIYOF-UHFFFAOYSA-N 1 2 431.558 1.947 40 0 IDABLO Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000408624187 555993330 /nfs/dbraw/zinc/99/33/30/555993330.db2.gz UXGUTVUOYJNWFM-UHFFFAOYSA-N 1 2 445.585 1.677 40 0 IDABLO O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000408630852 556001740 /nfs/dbraw/zinc/00/17/40/556001740.db2.gz XBQRPHYLGRWXBU-UHFFFAOYSA-N 1 2 437.949 1.984 40 0 IDABLO CN1CCN(C(=O)C(Sc2nccc3ccccc32)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000033429195 556563992 /nfs/dbraw/zinc/56/39/92/556563992.db2.gz XYBMBGLFYTVXRU-UHFFFAOYSA-N 1 2 427.574 1.244 40 0 IDABLO O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCC[NH+]1CCOCC1 ZINC000016428892 556607025 /nfs/dbraw/zinc/60/70/25/556607025.db2.gz JBAQMEUIOJSPSD-UHFFFAOYSA-N 1 2 425.551 1.125 40 0 IDABLO COCc1nn2c(nnc3c2ccn(N2CC[NH+](C)CC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396141 556638607 /nfs/dbraw/zinc/63/86/07/556638607.db2.gz VENPHFHVYTXRAG-UHFFFAOYSA-N 1 2 439.907 1.789 40 0 IDABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 ZINC000257233803 556709651 /nfs/dbraw/zinc/70/96/51/556709651.db2.gz GQUJPPMHOBAXCX-ZEQRLZLVSA-N 1 2 449.551 1.813 40 0 IDABLO Cc1csc2c([C@@H]3CCCN(C(=O)CCC(=O)N4CCC[C@@H]4C(N)=O)C3)[nH+]c(C)n12 ZINC000019240396 556726141 /nfs/dbraw/zinc/72/61/41/556726141.db2.gz OILLKQDLKPSJOZ-HZPDHXFCSA-N 1 2 431.562 1.975 40 0 IDABLO COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCN(S(=O)(=O)N4CCC(C)CC4)CC3)c2c1 ZINC000019496930 556769498 /nfs/dbraw/zinc/76/94/98/556769498.db2.gz LGUREZRHRFECEL-NRFANRHFSA-N 1 2 436.578 1.804 40 0 IDABLO COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CC[NH+]4CCOCC4)C3)c2N)cc1 ZINC000019558772 556800767 /nfs/dbraw/zinc/80/07/67/556800767.db2.gz WTUXDSHDXHJYEW-INIZCTEOSA-N 1 2 427.505 1.217 40 0 IDABLO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(CN(C)C(=O)C[N@H+](C)Cc3ccccn3)cc2)C1 ZINC000019698794 556858032 /nfs/dbraw/zinc/85/80/32/556858032.db2.gz XVEDYDINQHYGLH-YADHBBJMSA-N 1 2 437.544 1.219 40 0 IDABLO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(CN(C)C(=O)C[N@@H+](C)Cc3ccccn3)cc2)C1 ZINC000019698794 556858037 /nfs/dbraw/zinc/85/80/37/556858037.db2.gz XVEDYDINQHYGLH-YADHBBJMSA-N 1 2 437.544 1.219 40 0 IDABLO CC[C@@H](C(=O)N1CCC(c2nc3c(c(NC)n2)CN(C(C)=O)CC3)CC1)[NH+]1CCOCC1 ZINC000019711428 556876179 /nfs/dbraw/zinc/87/61/79/556876179.db2.gz DEYPYTPEJPGGRJ-FQEVSTJZSA-N 1 2 444.580 1.240 40 0 IDABLO C[NH+]1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4ccn[nH]4)CCO3)nc3ccccc32)CC1 ZINC000019759193 556902917 /nfs/dbraw/zinc/90/29/17/556902917.db2.gz JTYGJCGAVOPAQU-OAQYLSRUSA-N 1 2 434.500 1.559 40 0 IDABLO O=C(C[NH+]1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)Nc1ccc2c(c1)OCCO2 ZINC000072341831 556914419 /nfs/dbraw/zinc/91/44/19/556914419.db2.gz DZUQVIOPTBUZHL-UHFFFAOYSA-N 1 2 439.516 1.935 40 0 IDABLO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000019817943 556920587 /nfs/dbraw/zinc/92/05/87/556920587.db2.gz DLXCTVLIPLEHDG-DLBZAZTESA-N 1 2 432.477 1.176 40 0 IDABLO COc1cccc([C@H]2NC3=NCN(CC[NH+]4CCOCC4)CN3c3nc4ccccc4n32)c1 ZINC000019960446 556955342 /nfs/dbraw/zinc/95/53/42/556955342.db2.gz VQWQSFMXQBFVPD-QFIPXVFZSA-N 1 2 447.543 1.920 40 0 IDABLO Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[NH2+][C@H]3C=CS(=O)(=O)C3)CC2)n1 ZINC000257234462 556984860 /nfs/dbraw/zinc/98/48/60/556984860.db2.gz GTPNNFNMZJEONX-WDSOQIARSA-N 1 2 443.573 1.772 40 0 IDABLO O=C(C[N@H+]1CC[C@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2)N1CCCC1 ZINC000585101719 557034631 /nfs/dbraw/zinc/03/46/31/557034631.db2.gz BBUADQIKOBRECK-QFIPXVFZSA-N 1 2 426.496 1.709 40 0 IDABLO O=C(C[N@@H+]1CC[C@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2)N1CCCC1 ZINC000585101719 557034639 /nfs/dbraw/zinc/03/46/39/557034639.db2.gz BBUADQIKOBRECK-QFIPXVFZSA-N 1 2 426.496 1.709 40 0 IDABLO COc1ncc(C[N@@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C ZINC000585102328 557036775 /nfs/dbraw/zinc/03/67/75/557036775.db2.gz ZPGUCKPFCGAFEU-XMSQKQJNSA-N 1 2 427.505 1.173 40 0 IDABLO COc1ncc(C[N@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C ZINC000585102328 557036778 /nfs/dbraw/zinc/03/67/78/557036778.db2.gz ZPGUCKPFCGAFEU-XMSQKQJNSA-N 1 2 427.505 1.173 40 0 IDABLO Cn1c[nH+]c(CCNC(=O)C[C@@H]2OC[C@H]3CN(c4cc(C(F)(F)F)ncn4)CC[C@H]32)c1 ZINC000585109491 557041795 /nfs/dbraw/zinc/04/17/95/557041795.db2.gz UGWPCDNFNWLDQJ-BMFZPTHFSA-N 1 2 438.454 1.819 40 0 IDABLO Cn1cc(C(=O)N2CC[C@H]3O[C@@H](COCC[NH+]4CCOCC4)CC[C@H]32)c(C(F)F)n1 ZINC000585108484 557043940 /nfs/dbraw/zinc/04/39/40/557043940.db2.gz VDWZIEWQLXMYBB-DJIMGWMZSA-N 1 2 428.480 1.469 40 0 IDABLO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000585291841 557229628 /nfs/dbraw/zinc/22/96/28/557229628.db2.gz UGHCNCVMVBJNBE-YADHBBJMSA-N 1 2 427.526 1.323 40 0 IDABLO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[N@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000585291841 557229631 /nfs/dbraw/zinc/22/96/31/557229631.db2.gz UGHCNCVMVBJNBE-YADHBBJMSA-N 1 2 427.526 1.323 40 0 IDABLO Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[NH2+][C@@H]3C=CS(=O)(=O)C3)CC2)n1 ZINC000100731907 557272508 /nfs/dbraw/zinc/27/25/08/557272508.db2.gz GTPNNFNMZJEONX-NZSAHSFTSA-N 1 2 443.573 1.772 40 0 IDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220696303 557307711 /nfs/dbraw/zinc/30/77/11/557307711.db2.gz SJHHGFDWMLAHCW-INIZCTEOSA-N 1 2 438.377 1.986 40 0 IDABLO COCCN1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O ZINC000103515214 557315996 /nfs/dbraw/zinc/31/59/96/557315996.db2.gz CBFVFKZESBYWGA-MMMWYMCRSA-N 1 2 434.290 1.322 40 0 IDABLO COCCN1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O ZINC000103515214 557315999 /nfs/dbraw/zinc/31/59/99/557315999.db2.gz CBFVFKZESBYWGA-MMMWYMCRSA-N 1 2 434.290 1.322 40 0 IDABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013496003 557326036 /nfs/dbraw/zinc/32/60/36/557326036.db2.gz VPPFJXSDMBHYPS-LJQANCHMSA-N 1 2 442.520 1.722 40 0 IDABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013496003 557326040 /nfs/dbraw/zinc/32/60/40/557326040.db2.gz VPPFJXSDMBHYPS-LJQANCHMSA-N 1 2 442.520 1.722 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000013510360 557331951 /nfs/dbraw/zinc/33/19/51/557331951.db2.gz RARKABHZWWBVBD-LJQANCHMSA-N 1 2 442.520 1.477 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000013510360 557331953 /nfs/dbraw/zinc/33/19/53/557331953.db2.gz RARKABHZWWBVBD-LJQANCHMSA-N 1 2 442.520 1.477 40 0 IDABLO CS(=O)(=O)N(CCCC(=O)NCC[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000014396796 557435189 /nfs/dbraw/zinc/43/51/89/557435189.db2.gz WYZWQCNACMPXBZ-UHFFFAOYSA-N 1 2 438.377 1.988 40 0 IDABLO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C=C([O-])NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606987 557447278 /nfs/dbraw/zinc/44/72/78/557447278.db2.gz RGOBJNKFGKROJK-SFHVURJKSA-N 1 2 435.484 1.416 40 0 IDABLO O=C(C[C@H]1[NH2+]CCNC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000017095809 557486913 /nfs/dbraw/zinc/48/69/13/557486913.db2.gz GRSSZSHPSPKDQT-HXUWFJFHSA-N 1 2 428.483 1.677 40 0 IDABLO COc1cc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc(OC)c1OC ZINC000225218149 557701435 /nfs/dbraw/zinc/70/14/35/557701435.db2.gz ZNLFJKJOUKTIHH-UHFFFAOYSA-N 1 2 432.550 1.611 40 0 IDABLO CN([C@@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1)S(C)(=O)=O ZINC000225318927 557711230 /nfs/dbraw/zinc/71/12/30/557711230.db2.gz ZZIPKQTWDYZEPO-OAQYLSRUSA-N 1 2 445.541 1.692 40 0 IDABLO CCc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1 ZINC000257202547 568666401 /nfs/dbraw/zinc/66/64/01/568666401.db2.gz AMHDHWXAYOFZCG-VGOFRKELSA-N 1 2 425.489 1.476 40 0 IDABLO Cc1[nH]c2ccc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cnc5c4ncnc5N)C3)cc2[nH+]1 ZINC000257210276 568669752 /nfs/dbraw/zinc/66/97/52/568669752.db2.gz BTXVTKSTXGALQC-VGOFRKELSA-N 1 2 434.504 1.750 40 0 IDABLO Cc1[nH]c2cc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cnc5c4ncnc5N)C3)ccc2[nH+]1 ZINC000257210276 568669755 /nfs/dbraw/zinc/66/97/55/568669755.db2.gz BTXVTKSTXGALQC-VGOFRKELSA-N 1 2 434.504 1.750 40 0 IDABLO Cc1cn([C@@H]2CN(C(=O)CCCn3c4ccccc4[nH+]c3C(C)C)C[C@H]2O)c(=O)[nH]c1=O ZINC000257216327 568672532 /nfs/dbraw/zinc/67/25/32/568672532.db2.gz CUAIBVUFQNYVGZ-RTBURBONSA-N 1 2 439.516 1.955 40 0 IDABLO Cc1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257259120 568692732 /nfs/dbraw/zinc/69/27/32/568692732.db2.gz KWXDCRCZJYMFLW-TXTKFYIRSA-N 1 2 427.549 1.297 40 0 IDABLO Cc1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257259120 568692733 /nfs/dbraw/zinc/69/27/33/568692733.db2.gz KWXDCRCZJYMFLW-TXTKFYIRSA-N 1 2 427.549 1.297 40 0 IDABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CC[C@@](C)(O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257279965 568702138 /nfs/dbraw/zinc/70/21/38/568702138.db2.gz OIXQVBAWRBRHHR-AUSIDOKSSA-N 1 2 439.516 1.920 40 0 IDABLO C[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3[nH]ncc3S(C)(=O)=O)cc2)CC1 ZINC000257282125 568703077 /nfs/dbraw/zinc/70/30/77/568703077.db2.gz OSKDQHCUQSIONI-SFHVURJKSA-N 1 2 446.577 1.341 40 0 IDABLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257290315 568706876 /nfs/dbraw/zinc/70/68/76/568706876.db2.gz QCJKQJZFXUBPEZ-UVFQYZLESA-N 1 2 434.504 1.592 40 0 IDABLO NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000257300316 568711462 /nfs/dbraw/zinc/71/14/62/568711462.db2.gz RTUVZRJTBOIHED-XMMPIXPASA-N 1 2 438.528 1.452 40 0 IDABLO CNc1nc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000257304279 568713319 /nfs/dbraw/zinc/71/33/19/568713319.db2.gz SKWCNLWFMBEOOF-MRXNPFEDSA-N 1 2 438.532 1.860 40 0 IDABLO CNc1nc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000257304279 568713321 /nfs/dbraw/zinc/71/33/21/568713321.db2.gz SKWCNLWFMBEOOF-MRXNPFEDSA-N 1 2 438.532 1.860 40 0 IDABLO CCn1c(CCCC(=O)N(C)[C@@H]2CC[C@@H]([N@@H+]3CCNC(=O)C3)[C@@H]2O)nc2ccccc21 ZINC000257313137 568716847 /nfs/dbraw/zinc/71/68/47/568716847.db2.gz UREBSSDXEFTFOX-DNVFCKCGSA-N 1 2 427.549 1.161 40 0 IDABLO CCn1c(CCCC(=O)N(C)[C@@H]2CC[C@@H]([N@H+]3CCNC(=O)C3)[C@@H]2O)nc2ccccc21 ZINC000257313137 568716849 /nfs/dbraw/zinc/71/68/49/568716849.db2.gz UREBSSDXEFTFOX-DNVFCKCGSA-N 1 2 427.549 1.161 40 0 IDABLO NC(=O)[C@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000257336885 568727446 /nfs/dbraw/zinc/72/74/46/568727446.db2.gz YQKWHCGQSXYCJJ-HXUWFJFHSA-N 1 2 447.532 1.230 40 0 IDABLO NC(=O)[C@H]1C[N@@H+](CCc2ccccc2)CCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000257336885 568727447 /nfs/dbraw/zinc/72/74/47/568727447.db2.gz YQKWHCGQSXYCJJ-HXUWFJFHSA-N 1 2 447.532 1.230 40 0 IDABLO CS(=O)(=O)N1CCC2(CCn3c2nc(=O)c2c3CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000306129211 568765673 /nfs/dbraw/zinc/76/56/73/568765673.db2.gz HXMRGTVFDVTJNE-UHFFFAOYSA-N 1 2 428.558 1.499 40 0 IDABLO CS(=O)(=O)N1CCC2(CCn3c2nc(=O)c2c3CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000306129211 568765674 /nfs/dbraw/zinc/76/56/74/568765674.db2.gz HXMRGTVFDVTJNE-UHFFFAOYSA-N 1 2 428.558 1.499 40 0 IDABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCCO)Cc1nnnn1C1CCCC1)OCCO3 ZINC000057640498 568909235 /nfs/dbraw/zinc/90/92/35/568909235.db2.gz FAPOEDCZUYTOHP-UHFFFAOYSA-N 1 2 440.504 1.786 40 0 IDABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCCO)Cc1nnnn1C1CCCC1)OCCO3 ZINC000057640498 568909236 /nfs/dbraw/zinc/90/92/36/568909236.db2.gz FAPOEDCZUYTOHP-UHFFFAOYSA-N 1 2 440.504 1.786 40 0 IDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 ZINC000250672038 569207870 /nfs/dbraw/zinc/20/78/70/569207870.db2.gz MXEGWLMTZZTNRV-DYVFJYSZSA-N 1 2 446.456 1.167 40 0 IDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 ZINC000250672038 569207871 /nfs/dbraw/zinc/20/78/71/569207871.db2.gz MXEGWLMTZZTNRV-DYVFJYSZSA-N 1 2 446.456 1.167 40 0 IDABLO Cc1nc([C@@H]2CCN(C(=O)C[NH+]3Cc4ccccc4C3)C2)ncc1C(=O)N1CCOCC1 ZINC000019757762 569237260 /nfs/dbraw/zinc/23/72/60/569237260.db2.gz ZSJOEYLKYMECFY-HXUWFJFHSA-N 1 2 435.528 1.589 40 0 IDABLO C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026935381 569242645 /nfs/dbraw/zinc/24/26/45/569242645.db2.gz SFAYIMIKCDWBHU-HNNXBMFYSA-N 1 2 449.504 1.566 40 0 IDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3Cl)C2)C(=O)N1Cc1ccccc1 ZINC000225385984 291328823 /nfs/dbraw/zinc/32/88/23/291328823.db2.gz AEWNXQJUQOOVNQ-QUCCMNQESA-N 1 2 425.916 1.899 40 0 biogenic,in-vitro IDABLO CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000020635742 521510789 /nfs/dbraw/zinc/51/07/89/521510789.db2.gz MOPMVQHTKKZRKW-AWEZNQCLSA-N 1 2 440.460 1.137 40 0 IDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466606 526050430 /nfs/dbraw/zinc/05/04/30/526050430.db2.gz DERGAPNGLWHSKS-XWGHHAAHSA-N 1 2 449.636 1.789 40 0 biogenic,in-vitro IDABLO COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCCn3cc[nH+]c3)CC2)c1 ZINC000408588608 555940821 /nfs/dbraw/zinc/94/08/21/555940821.db2.gz DKQARLFKAKDHJW-UHFFFAOYSA-N 1 2 436.534 1.508 40 0 IDABLO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000408590061 555947226 /nfs/dbraw/zinc/94/72/26/555947226.db2.gz GUNBIFAPAFNSSO-SFHVURJKSA-N 1 2 447.557 1.553 40 0 IDABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)c(C)c2)cc1 ZINC000408598111 555956625 /nfs/dbraw/zinc/95/66/25/555956625.db2.gz ZYOHQFFJXNOMEX-UHFFFAOYSA-N 1 2 447.557 1.931 40 0 IDABLO Cc1ccc(CN(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408618231 555981884 /nfs/dbraw/zinc/98/18/84/555981884.db2.gz FDTQDBCKEJIWFC-UHFFFAOYSA-N 1 2 445.585 1.943 40 0 IDABLO O=C(COc1ccc(N2C[C@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1)N1CCCC1 ZINC000408615229 555986416 /nfs/dbraw/zinc/98/64/16/555986416.db2.gz NRHAHWKGESYQMA-GOSISDBHSA-N 1 2 439.516 1.444 40 0 IDABLO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCC[NH+]1CCOCC1 ZINC000408621590 555990505 /nfs/dbraw/zinc/99/05/05/555990505.db2.gz OUFAKVMFEIQQKO-UHFFFAOYSA-N 1 2 435.521 1.465 40 0 IDABLO COc1ccc([C@@H]2CC(=O)c3cnc4nc(NCC[NH+]5CCOCC5)[nH]c(=O)c4c3C2)cc1 ZINC000038829509 556620768 /nfs/dbraw/zinc/62/07/68/556620768.db2.gz GHLJXPNUXQYWHH-INIZCTEOSA-N 1 2 449.511 1.984 40 0 IDABLO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000018213998 556687070 /nfs/dbraw/zinc/68/70/70/556687070.db2.gz QGYNAPARXSKMKA-UHFFFAOYSA-N 1 2 431.558 1.764 40 0 IDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)c5ccn(C)n5)C4)nc3C2)cc1 ZINC000019290879 556730912 /nfs/dbraw/zinc/73/09/12/556730912.db2.gz GHZMVKJTEUECGB-KRWDZBQOSA-N 1 2 448.527 1.700 40 0 IDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)c5ccn(C)n5)C4)nc3C2)cc1 ZINC000019290879 556730913 /nfs/dbraw/zinc/73/09/13/556730913.db2.gz GHZMVKJTEUECGB-KRWDZBQOSA-N 1 2 448.527 1.700 40 0 IDABLO CCOCCN(CC)c1nccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)n1 ZINC000019526599 556784838 /nfs/dbraw/zinc/78/48/38/556784838.db2.gz KHSSOIIKYHEJCF-UHFFFAOYSA-N 1 2 441.580 1.971 40 0 IDABLO CCOCCN(CC)c1nccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)n1 ZINC000019526599 556784842 /nfs/dbraw/zinc/78/48/42/556784842.db2.gz KHSSOIIKYHEJCF-UHFFFAOYSA-N 1 2 441.580 1.971 40 0 IDABLO CCOCCN(CC)c1nccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)n1 ZINC000019526598 556784941 /nfs/dbraw/zinc/78/49/41/556784941.db2.gz VDAQGIKOXMMXCJ-UHFFFAOYSA-N 1 2 427.553 1.581 40 0 IDABLO CCOCCN(CC)c1nccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)n1 ZINC000019526598 556784944 /nfs/dbraw/zinc/78/49/44/556784944.db2.gz VDAQGIKOXMMXCJ-UHFFFAOYSA-N 1 2 427.553 1.581 40 0 IDABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCCC1)OCCO3 ZINC000006445234 556833473 /nfs/dbraw/zinc/83/34/73/556833473.db2.gz ADMGOFUADQNYAL-MGPUTAFESA-N 1 2 438.488 1.650 40 0 IDABLO Cc1noc(CCC(=O)N2CCC(c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)CC2)n1 ZINC000019708425 556868975 /nfs/dbraw/zinc/86/89/75/556868975.db2.gz RPUAAEVBFSSBLF-UHFFFAOYSA-N 1 2 426.521 1.499 40 0 IDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 ZINC000054670822 557022897 /nfs/dbraw/zinc/02/28/97/557022897.db2.gz MXEGWLMTZZTNRV-CXAGYDPISA-N 1 2 446.456 1.167 40 0 IDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 ZINC000054670822 557022903 /nfs/dbraw/zinc/02/29/03/557022903.db2.gz MXEGWLMTZZTNRV-CXAGYDPISA-N 1 2 446.456 1.167 40 0 IDABLO NC(=O)C1CCN(C(=O)[C@@H]2C[N@H+](Cc3nc(C(F)(F)F)c[nH]3)CC23CCOCC3)CC1 ZINC000585101988 557035692 /nfs/dbraw/zinc/03/56/92/557035692.db2.gz RDIHARGQYWNAJL-AWEZNQCLSA-N 1 2 443.470 1.381 40 0 IDABLO NC(=O)C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3nc(C(F)(F)F)c[nH]3)CC23CCOCC3)CC1 ZINC000585101988 557035696 /nfs/dbraw/zinc/03/56/96/557035696.db2.gz RDIHARGQYWNAJL-AWEZNQCLSA-N 1 2 443.470 1.381 40 0 IDABLO O=C(NCCc1ccncc1)c1cn(-c2[nH+]c(CN3CCOCC3)c3ccccn32)cn1 ZINC000096267063 557192822 /nfs/dbraw/zinc/19/28/22/557192822.db2.gz ZHGFGDDDFPUQFH-UHFFFAOYSA-N 1 2 431.500 1.720 40 0 IDABLO COCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000026099875 557234235 /nfs/dbraw/zinc/23/42/35/557234235.db2.gz UHNZMEPBXCXIMB-UHFFFAOYSA-N 1 2 432.590 1.882 40 0 IDABLO COCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCOCC2)CC4)C1 ZINC000100233642 557250245 /nfs/dbraw/zinc/25/02/45/557250245.db2.gz HTFZWPJCLDSROU-OAHLLOKOSA-N 1 2 429.521 1.324 40 0 IDABLO COCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCOCC2)CC4)C1 ZINC000100233642 557250250 /nfs/dbraw/zinc/25/02/50/557250250.db2.gz HTFZWPJCLDSROU-OAHLLOKOSA-N 1 2 429.521 1.324 40 0 IDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000220750792 557311647 /nfs/dbraw/zinc/31/16/47/557311647.db2.gz PPABGWUCRGRMAU-INIZCTEOSA-N 1 2 433.958 1.342 40 0 IDABLO O=C(CN1CCOCC[NH+](CC(=O)Nc2ccccc2)CCOCC1)Nc1ccccc1 ZINC000013475863 557322279 /nfs/dbraw/zinc/32/22/79/557322279.db2.gz JVPKDLHEUUYQDC-UHFFFAOYSA-N 1 2 440.544 1.915 40 0 IDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)CC1 ZINC000104346223 557325529 /nfs/dbraw/zinc/32/55/29/557325529.db2.gz COWKZIPAMUPNCH-QGZVFWFLSA-N 1 2 446.456 1.167 40 0 IDABLO O=S(=O)(c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)N1CCCC1 ZINC000013496920 557326638 /nfs/dbraw/zinc/32/66/38/557326638.db2.gz PFEFYCHIFIBGIY-UHFFFAOYSA-N 1 2 449.598 1.978 40 0 IDABLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccncc3)cn21 ZINC000107189379 557336020 /nfs/dbraw/zinc/33/60/20/557336020.db2.gz KTMHWRRXDIGKPL-NRFANRHFSA-N 1 2 442.527 1.938 40 0 IDABLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccncc3)cn21 ZINC000107189379 557336021 /nfs/dbraw/zinc/33/60/21/557336021.db2.gz KTMHWRRXDIGKPL-NRFANRHFSA-N 1 2 442.527 1.938 40 0 IDABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCCCn1cc[nH+]c1 ZINC000013566684 557345484 /nfs/dbraw/zinc/34/54/84/557345484.db2.gz YSSXGXPGNIHBBF-UHFFFAOYSA-N 1 2 442.925 1.143 40 0 IDABLO O=C(C[C@@H]1[NH2+]CCNC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000017095808 557486830 /nfs/dbraw/zinc/48/68/30/557486830.db2.gz GRSSZSHPSPKDQT-FQEVSTJZSA-N 1 2 428.483 1.677 40 0 IDABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000019572175 557501149 /nfs/dbraw/zinc/50/11/49/557501149.db2.gz ILTVKXOCXOJVBF-UHFFFAOYSA-N 1 2 431.514 1.526 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225273271 557707752 /nfs/dbraw/zinc/70/77/52/557707752.db2.gz NCQPOEWSACXSBT-QGZVFWFLSA-N 1 2 445.541 1.501 40 0 IDABLO CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000225301855 557710013 /nfs/dbraw/zinc/71/00/13/557710013.db2.gz BHURKBFQTGWYKK-UHFFFAOYSA-N 1 2 425.536 1.197 40 0 IDABLO C[C@@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225903096 557789576 /nfs/dbraw/zinc/78/95/76/557789576.db2.gz CPNWPLABYAGTHC-QGZVFWFLSA-N 1 2 433.626 1.932 40 0 IDABLO C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225903771 557789947 /nfs/dbraw/zinc/78/99/47/557789947.db2.gz FZZNXZXNKOTHEY-KRWDZBQOSA-N 1 2 449.625 1.311 40 0 IDABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000225985400 557799074 /nfs/dbraw/zinc/79/90/74/557799074.db2.gz ZLELZZBFIAGKGW-UHFFFAOYSA-N 1 2 431.558 1.811 40 0 IDABLO O=C(Cn1c2ccc(F)cc2c2c1CCCC2)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257212023 568670649 /nfs/dbraw/zinc/67/06/49/568670649.db2.gz CBOZZNCPMAGVRD-AKFKNWHVSA-N 1 2 445.535 1.314 40 0 IDABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1 ZINC000257237266 568682514 /nfs/dbraw/zinc/68/25/14/568682514.db2.gz HFURFXXSRLKNBU-XMSQKQJNSA-N 1 2 425.489 1.448 40 0 IDABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c2ncnc3N)C1 ZINC000257260655 568693211 /nfs/dbraw/zinc/69/32/11/568693211.db2.gz LDUCYNPUAXILHU-UZUQRXQVSA-N 1 2 448.531 1.935 40 0 IDABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000257270824 568698016 /nfs/dbraw/zinc/69/80/16/568698016.db2.gz MVUJCTQXMREYDC-FPOVZHCZSA-N 1 2 437.562 1.416 40 0 IDABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000257270824 568698019 /nfs/dbraw/zinc/69/80/19/568698019.db2.gz MVUJCTQXMREYDC-FPOVZHCZSA-N 1 2 437.562 1.416 40 0 IDABLO O=C(C[C@@H]1CCCN(C(=O)c2ccnc(N3CCOCC3)c2)C1)NCCn1cc[nH+]c1 ZINC000257280149 568702244 /nfs/dbraw/zinc/70/22/44/568702244.db2.gz OJRQCCYTJPGQAF-SFHVURJKSA-N 1 2 426.521 1.173 40 0 IDABLO COCCn1cnc2cc(C(=O)N(C)C[C@@]3(O)CCCN(c4cc(C)[nH+]cn4)C3)ccc21 ZINC000257282040 568703086 /nfs/dbraw/zinc/70/30/86/568703086.db2.gz OSBUMIRGMFTOSP-QHCPKHFHSA-N 1 2 438.532 1.885 40 0 IDABLO O=C1N(Cc2ccccc2)CC=CC[C@]12C[N@H+](Cc1cnc(N3CCOCC3)nc1)CCO2 ZINC000257302041 568712192 /nfs/dbraw/zinc/71/21/92/568712192.db2.gz SBEDQTZBRWZTNJ-VWLOTQADSA-N 1 2 449.555 1.873 40 0 IDABLO O=C1N(Cc2ccccc2)CC=CC[C@]12C[N@@H+](Cc1cnc(N3CCOCC3)nc1)CCO2 ZINC000257302041 568712194 /nfs/dbraw/zinc/71/21/94/568712194.db2.gz SBEDQTZBRWZTNJ-VWLOTQADSA-N 1 2 449.555 1.873 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1ccc(Br)cc1)C[C@@H]2O ZINC000257332336 568725434 /nfs/dbraw/zinc/72/54/34/568725434.db2.gz XWVLNUIXXAGJIY-RDJZCZTQSA-N 1 2 446.367 1.248 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)C[C@@H]2O ZINC000257332336 568725438 /nfs/dbraw/zinc/72/54/38/568725438.db2.gz XWVLNUIXXAGJIY-RDJZCZTQSA-N 1 2 446.367 1.248 40 0 IDABLO O=C(NCCCn1cc[nH+]c1)c1cn2c(nc1=O)[C@]1(CC2)CCN(C(=O)c2ccccc2)C1 ZINC000306126586 568764416 /nfs/dbraw/zinc/76/44/16/568764416.db2.gz DZQSNOXGOMBVMR-XMMPIXPASA-N 1 2 446.511 1.448 40 0 IDABLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)ccc1OCC(N)=O ZINC000019693646 569229082 /nfs/dbraw/zinc/22/90/82/569229082.db2.gz AXKMOKRCACGQQN-JOCHJYFZSA-N 1 2 435.484 1.985 40 0 IDABLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)ccc1OCC(N)=O ZINC000019693646 569229083 /nfs/dbraw/zinc/22/90/83/569229083.db2.gz AXKMOKRCACGQQN-JOCHJYFZSA-N 1 2 435.484 1.985 40 0 IDABLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O ZINC000019693799 569229278 /nfs/dbraw/zinc/22/92/78/569229278.db2.gz VGUANZQPFYNNQT-QFIPXVFZSA-N 1 2 437.500 1.928 40 0 IDABLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O ZINC000019693799 569229280 /nfs/dbraw/zinc/22/92/80/569229280.db2.gz VGUANZQPFYNNQT-QFIPXVFZSA-N 1 2 437.500 1.928 40 0 IDABLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019720303 569235917 /nfs/dbraw/zinc/23/59/17/569235917.db2.gz QHLXCBWAGPWVSJ-KRWDZBQOSA-N 1 2 445.541 1.735 40 0 IDABLO Cc1nc([C@@H]2CCN(C(=O)c3cccc(OCC[NH+]4CCOCC4)c3)C2)ncc1C(N)=O ZINC000019758131 569237414 /nfs/dbraw/zinc/23/74/14/569237414.db2.gz PGVPELQEKSLERC-GOSISDBHSA-N 1 2 439.516 1.225 40 0 IDABLO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000028208288 569242780 /nfs/dbraw/zinc/24/27/80/569242780.db2.gz QVUIXIWZUFVDHH-UHFFFAOYSA-N 1 2 433.958 1.198 40 0 IDABLO C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000108017162 569252106 /nfs/dbraw/zinc/25/21/06/569252106.db2.gz WOGRMDMRZQEQQQ-MRXNPFEDSA-N 1 2 431.514 1.427 40 0 IDABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000197917542 569255434 /nfs/dbraw/zinc/25/54/34/569255434.db2.gz SPBMJJYWQZRUJD-MRXNPFEDSA-N 1 2 430.578 1.964 40 0 IDABLO C[C@H]1COc2c3c(cc(N4CC[NH+](C)CC4)c2N2CC[NH+](C)CC2)c(=O)c(C(=O)[O-])cn31 ZINC000065739634 569296950 /nfs/dbraw/zinc/29/69/50/569296950.db2.gz XWSLQLSKDDWMBP-HNNXBMFYSA-N 1 2 441.532 1.157 40 0 in-vitro IDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3F)C2)C(=O)N1Cc1ccccc1F ZINC000225390314 291328814 /nfs/dbraw/zinc/32/88/14/291328814.db2.gz WYZGIZDMVLJYCU-XLIONFOSSA-N 1 2 427.451 1.523 40 0 biogenic,in-vitro IDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C(=O)N1Cc1ccccc1Cl ZINC000225391636 291328819 /nfs/dbraw/zinc/32/88/19/291328819.db2.gz NTZIAHLVUKOAEJ-QUCCMNQESA-N 1 2 425.916 1.899 40 0 biogenic,in-vitro IDABLO COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(Br)cc31)[N@H+]1CCC[C@@H]21 ZINC000035374932 523805935 /nfs/dbraw/zinc/80/59/35/523805935.db2.gz CBFVFKZESBYWGA-XMDUPGNXSA-N 1 2 434.290 1.322 40 0 IDABLO COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(Br)cc31)[N@@H+]1CCC[C@@H]21 ZINC000035374932 523805942 /nfs/dbraw/zinc/80/59/42/523805942.db2.gz CBFVFKZESBYWGA-XMDUPGNXSA-N 1 2 434.290 1.322 40 0 IDABLO COC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=[NH+][C@H]1c1ccco1 ZINC000020478139 523944145 /nfs/dbraw/zinc/94/41/45/523944145.db2.gz WEJFDOYYMOPKSQ-MOPGFXCFSA-N 1 2 440.456 1.142 40 0 IDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466609 526052132 /nfs/dbraw/zinc/05/21/32/526052132.db2.gz DERGAPNGLWHSKS-GFXCCVESSA-N 1 2 449.636 1.789 40 0 biogenic,in-vitro IDABLO O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCCCn1cc[nH+]c1 ZINC000022250382 526955246 /nfs/dbraw/zinc/95/52/46/526955246.db2.gz ZTPZYCBKWONAJK-UHFFFAOYSA-N 1 2 442.925 1.143 40 0 IDABLO Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000408593767 555959871 /nfs/dbraw/zinc/95/98/71/555959871.db2.gz ODJLVQQRBOFFAC-UHFFFAOYSA-N 1 2 433.530 1.623 40 0 IDABLO O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCC[NH+]1CCOCC1 ZINC000408594226 555960504 /nfs/dbraw/zinc/96/05/04/555960504.db2.gz PFHSTIRMFHKING-UHFFFAOYSA-N 1 2 445.969 1.342 40 0 IDABLO COc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408618613 555982146 /nfs/dbraw/zinc/98/21/46/555982146.db2.gz KJZZRXCLBKPYMD-UHFFFAOYSA-N 1 2 433.530 1.339 40 0 IDABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)Cc2ccccc2)cc1 ZINC000408618873 555982378 /nfs/dbraw/zinc/98/23/78/555982378.db2.gz HKTPQOOODSXECU-UHFFFAOYSA-N 1 2 431.558 1.634 40 0 IDABLO Cc1ccc(CN(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408617405 555988403 /nfs/dbraw/zinc/98/84/03/555988403.db2.gz CBLHGOMHAHZVLU-UHFFFAOYSA-N 1 2 431.558 1.634 40 0 IDABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCC[NH+]1CCOCC1 ZINC000408629846 556000130 /nfs/dbraw/zinc/00/01/30/556000130.db2.gz IYSHRKILFOOFEP-UHFFFAOYSA-N 1 2 437.949 1.984 40 0 IDABLO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C2=O ZINC000068783156 556719470 /nfs/dbraw/zinc/71/94/70/556719470.db2.gz OMBTXRBPJZOEOW-QYWGDWMGSA-N 1 2 434.562 1.738 40 0 IDABLO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C2=O ZINC000068783166 556719582 /nfs/dbraw/zinc/71/95/82/556719582.db2.gz OMBTXRBPJZOEOW-CKJXQJPGSA-N 1 2 434.562 1.738 40 0 IDABLO Cc1csc2c([C@H]3CCCN(C(=O)CCC(=O)N4CCC[C@H]4C(N)=O)C3)[nH+]c(C)n12 ZINC000019240400 556726215 /nfs/dbraw/zinc/72/62/15/556726215.db2.gz OILLKQDLKPSJOZ-HOTGVXAUSA-N 1 2 431.562 1.975 40 0 IDABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000057674872 556748850 /nfs/dbraw/zinc/74/88/50/556748850.db2.gz YJMPNNODMLNRCM-LJQANCHMSA-N 1 2 426.521 1.695 40 0 IDABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000057674872 556748853 /nfs/dbraw/zinc/74/88/53/556748853.db2.gz YJMPNNODMLNRCM-LJQANCHMSA-N 1 2 426.521 1.695 40 0 IDABLO C[C@@H]1C[NH+](CC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)COCCC(=O)N3)C[C@@H](C)O1 ZINC000019497438 556770004 /nfs/dbraw/zinc/77/00/04/556770004.db2.gz XIMKJQQUVBUZAU-WQLIQUDQSA-N 1 2 437.487 1.275 40 0 IDABLO COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)C3)c2N)cc1 ZINC000019558768 556800721 /nfs/dbraw/zinc/80/07/21/556800721.db2.gz WTUXDSHDXHJYEW-MRXNPFEDSA-N 1 2 427.505 1.217 40 0 IDABLO CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000019573758 556814016 /nfs/dbraw/zinc/81/40/16/556814016.db2.gz VTHWQUNKTDTHCC-UHFFFAOYSA-N 1 2 435.594 1.672 40 0 IDABLO COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCCCCC1 ZINC000006239128 556830552 /nfs/dbraw/zinc/83/05/52/556830552.db2.gz ISXQUFNLFFDDSL-LJQANCHMSA-N 1 2 426.477 1.855 40 0 IDABLO C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCCN(C(=O)CN4CCCCCC4=O)C3)nc2)CC1 ZINC000019705983 556863535 /nfs/dbraw/zinc/86/35/35/556863535.db2.gz HXXOBASAGQTNSR-HXUWFJFHSA-N 1 2 441.576 1.578 40 0 IDABLO COc1cccc([C@@H]2NC3=NCN(CC[NH+]4CCOCC4)CN3c3nc4ccccc4n32)c1 ZINC000019960442 556955332 /nfs/dbraw/zinc/95/53/32/556955332.db2.gz VQWQSFMXQBFVPD-JOCHJYFZSA-N 1 2 447.543 1.920 40 0 IDABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000020037184 556970526 /nfs/dbraw/zinc/97/05/26/556970526.db2.gz QWEYHZSGBZPSQS-UHFFFAOYSA-N 1 2 442.497 1.726 40 0 IDABLO COc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000409172205 556983953 /nfs/dbraw/zinc/98/39/53/556983953.db2.gz DBYRZIHRJHRTBH-UHFFFAOYSA-N 1 2 447.513 1.047 40 0 IDABLO Cc1cc2c(cc1Br)[C@H](O)[C@](C[NH+]1CCOCC1)(N1CCOCC1)CO2 ZINC000022941723 557053985 /nfs/dbraw/zinc/05/39/85/557053985.db2.gz JMBQVTAGEXASNE-RBUKOAKNSA-N 1 2 427.339 1.587 40 0 IDABLO CC1=NN(C)[C@@H]2C(N3CCN(CC(=O)c4cccc(Br)c4)CC3)=[NH+]C=N[C@H]12 ZINC000082086858 557058236 /nfs/dbraw/zinc/05/82/36/557058236.db2.gz AWFOCXPRMSCNGN-MSOLQXFVSA-N 1 2 431.338 1.748 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000102330796 557129491 /nfs/dbraw/zinc/12/94/91/557129491.db2.gz GECBPMWPXOXFKH-KCESLBEFSA-N 1 2 437.452 1.182 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000102330796 557129499 /nfs/dbraw/zinc/12/94/99/557129499.db2.gz GECBPMWPXOXFKH-KCESLBEFSA-N 1 2 437.452 1.182 40 0 IDABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCCO2 ZINC000216377426 557144646 /nfs/dbraw/zinc/14/46/46/557144646.db2.gz XPCYGASLXQYAMS-UHFFFAOYSA-N 1 2 442.497 1.726 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)cc1 ZINC000096083910 557168967 /nfs/dbraw/zinc/16/89/67/557168967.db2.gz QYPZUQSUMYZGEV-UHFFFAOYSA-N 1 2 431.562 1.477 40 0 IDABLO CCc1ccc(S(=O)(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)cc1 ZINC000096083913 557169049 /nfs/dbraw/zinc/16/90/49/557169049.db2.gz WMZMXRZGCXMLSE-UHFFFAOYSA-N 1 2 445.589 1.731 40 0 IDABLO O=C(NCCc1ccccn1)c1cn(-c2[nH+]c(CN3CCOCC3)c3ccccn32)cn1 ZINC000096155551 557180166 /nfs/dbraw/zinc/18/01/66/557180166.db2.gz RHACVGPZPRPKCH-UHFFFAOYSA-N 1 2 431.500 1.720 40 0 IDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)NCc1cccc(F)c1)CC2 ZINC000096254922 557189287 /nfs/dbraw/zinc/18/92/87/557189287.db2.gz RTSXNWCJEFDDCB-UHFFFAOYSA-N 1 2 428.512 1.829 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000218797255 557216703 /nfs/dbraw/zinc/21/67/03/557216703.db2.gz IPWSGPKDRZPEHA-NRFANRHFSA-N 1 2 445.541 1.232 40 0 IDABLO CCc1c(C)nc(NC2CC[NH+](Cc3nnnn3Cc3ccc(OC)cc3)CC2)[nH]c1=O ZINC000013564896 557341576 /nfs/dbraw/zinc/34/15/76/557341576.db2.gz PEBGDGHPSZSKOR-UHFFFAOYSA-N 1 2 438.536 1.761 40 0 IDABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1S(N)(=O)=O ZINC000223038843 557419418 /nfs/dbraw/zinc/41/94/18/557419418.db2.gz OLVBHIWQJOYVGU-UHFFFAOYSA-N 1 2 433.486 1.029 40 0 IDABLO O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1C=C([O-])NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606985 557447261 /nfs/dbraw/zinc/44/72/61/557447261.db2.gz SCWBBBOVTLNGNK-IBGZPJMESA-N 1 2 449.511 1.459 40 0 IDABLO O=C(Nc1ccc2c(c1)OCO2)[C@H]1C=C([O-])NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+]1 ZINC000014606988 557447308 /nfs/dbraw/zinc/44/73/08/557447308.db2.gz RGOBJNKFGKROJK-GOSISDBHSA-N 1 2 435.484 1.416 40 0 IDABLO COCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019824317 557508484 /nfs/dbraw/zinc/50/84/84/557508484.db2.gz HSDYWALZNJZZQU-UHFFFAOYSA-N 1 2 432.590 1.800 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NCCOC)cc2c1 ZINC000019824490 557508501 /nfs/dbraw/zinc/50/85/01/557508501.db2.gz QPPCMTHYYFDADK-UHFFFAOYSA-N 1 2 448.589 1.582 40 0 IDABLO CC(C)CNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019940469 557510576 /nfs/dbraw/zinc/51/05/76/557510576.db2.gz PVCBYEABZGDHAE-UHFFFAOYSA-N 1 2 446.573 1.922 40 0 IDABLO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027772807 557583609 /nfs/dbraw/zinc/58/36/09/557583609.db2.gz ZIKBZECNLXRACM-UHFFFAOYSA-N 1 2 425.551 1.322 40 0 IDABLO COc1cc(N2CCc3ccccc3C2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225902924 557789712 /nfs/dbraw/zinc/78/97/12/557789712.db2.gz PNNLPVUBJBIIPM-UHFFFAOYSA-N 1 2 428.562 1.667 40 0 IDABLO CC1CCN(c2cc(N3CCOCC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)CC1 ZINC000225903690 557790081 /nfs/dbraw/zinc/79/00/81/557790081.db2.gz CBSANTAWXRWAMZ-UHFFFAOYSA-N 1 2 449.625 1.168 40 0 IDABLO CNc1nc([C@H]2CCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1C[N@H+](C)CC2 ZINC000257209374 568669427 /nfs/dbraw/zinc/66/94/27/568669427.db2.gz BQDDQJNHZPKYEF-ZDUSSCGKSA-N 1 2 435.525 1.832 40 0 IDABLO CNc1nc([C@H]2CCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1C[N@@H+](C)CC2 ZINC000257209374 568669430 /nfs/dbraw/zinc/66/94/30/568669430.db2.gz BQDDQJNHZPKYEF-ZDUSSCGKSA-N 1 2 435.525 1.832 40 0 IDABLO CCn1c(CCCC(=O)N[C@@H]2CCC[C@@H]([N@@H+]3CCNC(=O)C3)[C@@H]2O)nc2ccccc21 ZINC000257217149 568672728 /nfs/dbraw/zinc/67/27/28/568672728.db2.gz CXSHXXADQFKNQD-LYHRCORUSA-N 1 2 427.549 1.209 40 0 IDABLO CCn1c(CCCC(=O)N[C@@H]2CCC[C@@H]([N@H+]3CCNC(=O)C3)[C@@H]2O)nc2ccccc21 ZINC000257217149 568672732 /nfs/dbraw/zinc/67/27/32/568672732.db2.gz CXSHXXADQFKNQD-LYHRCORUSA-N 1 2 427.549 1.209 40 0 IDABLO O=C(CCCc1nc2cc(Cl)ccc2[nH]1)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257217711 568673023 /nfs/dbraw/zinc/67/30/23/568673023.db2.gz DAGVSVHXWVNCMT-OPYAIIAOSA-N 1 2 436.940 1.194 40 0 IDABLO C[C@@]1(O)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H]1n1cnc2c1ncnc2N ZINC000257217981 568673412 /nfs/dbraw/zinc/67/34/12/568673412.db2.gz DBKFEHQNKMWLNK-VGOFRKELSA-N 1 2 432.488 1.492 40 0 IDABLO CNC(=O)c1cccc([C@H]2CN(CC(=O)NCCc3nc4ccccc4[nH]3)CC[N@@H+]2C)c1 ZINC000257227205 568677644 /nfs/dbraw/zinc/67/76/44/568677644.db2.gz FOCGHGDYVXFGNN-OAQYLSRUSA-N 1 2 434.544 1.570 40 0 IDABLO CNC(=O)c1cccc([C@H]2CN(CC(=O)NCCc3nc4ccccc4[nH]3)CC[N@H+]2C)c1 ZINC000257227205 568677645 /nfs/dbraw/zinc/67/76/45/568677645.db2.gz FOCGHGDYVXFGNN-OAQYLSRUSA-N 1 2 434.544 1.570 40 0 IDABLO CC1(C)CCC2(CC[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC2)CN1S(C)(=O)=O ZINC000257250953 568689170 /nfs/dbraw/zinc/68/91/70/568689170.db2.gz JOSREDJSNVEUMV-UHFFFAOYSA-N 1 2 448.589 1.888 40 0 IDABLO CN1c2ccc(S(=O)(=O)N3CC[C@H](c4n[nH]cc4-c4cc[nH+]c(N)c4)C3)cc2CC1=O ZINC000257269500 568697084 /nfs/dbraw/zinc/69/70/84/568697084.db2.gz MQGMCNJLFKJIDJ-AWEZNQCLSA-N 1 2 438.513 1.751 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C[C@@H]2O ZINC000257300344 568711457 /nfs/dbraw/zinc/71/14/57/568711457.db2.gz RTYDWZGGMXPKMW-YJBOKZPZSA-N 1 2 433.477 1.087 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C[C@@H]2O ZINC000257300344 568711458 /nfs/dbraw/zinc/71/14/58/568711458.db2.gz RTYDWZGGMXPKMW-YJBOKZPZSA-N 1 2 433.477 1.087 40 0 IDABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000257318638 568719416 /nfs/dbraw/zinc/71/94/16/568719416.db2.gz VOUYSYLGQUMLFQ-FPOVZHCZSA-N 1 2 437.562 1.416 40 0 IDABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000257318638 568719421 /nfs/dbraw/zinc/71/94/21/568719421.db2.gz VOUYSYLGQUMLFQ-FPOVZHCZSA-N 1 2 437.562 1.416 40 0 IDABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1 ZINC000257343076 568729905 /nfs/dbraw/zinc/72/99/05/568729905.db2.gz ZRJXMMRCKGIJOQ-VGOFRKELSA-N 1 2 425.489 1.476 40 0 IDABLO CN(C(=O)CCCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257344496 568730478 /nfs/dbraw/zinc/73/04/78/568730478.db2.gz ZXOKAILVHDLJTH-CBGDNZLLSA-N 1 2 433.940 1.321 40 0 IDABLO CN(C(=O)CCCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257344496 568730481 /nfs/dbraw/zinc/73/04/81/568730481.db2.gz ZXOKAILVHDLJTH-CBGDNZLLSA-N 1 2 433.940 1.321 40 0 IDABLO Cn1cc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccc2)cn1 ZINC000306124753 568763463 /nfs/dbraw/zinc/76/34/63/568763463.db2.gz BYLGXIMLFWVFCW-MOPGFXCFSA-N 1 2 425.514 1.651 40 0 IDABLO Cn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccc2)cn1 ZINC000306124753 568763466 /nfs/dbraw/zinc/76/34/66/568763466.db2.gz BYLGXIMLFWVFCW-MOPGFXCFSA-N 1 2 425.514 1.651 40 0 IDABLO CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCCCn3cc[nH+]c3)c3ccccn32)C1 ZINC000306124823 568763485 /nfs/dbraw/zinc/76/34/85/568763485.db2.gz CAMDIRDYHHCDQH-INIZCTEOSA-N 1 2 430.534 1.490 40 0 IDABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)c4ccnn4C)C[C@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306138809 568770819 /nfs/dbraw/zinc/77/08/19/568770819.db2.gz SHYBQIBLPFIMKM-KKSFZXQISA-N 1 2 439.545 1.577 40 0 IDABLO C[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253405962 569265349 /nfs/dbraw/zinc/26/53/49/569265349.db2.gz UADXUXJVWCHCMB-KQGBIKSASA-N 1 2 427.545 1.515 40 0 IDABLO C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253405962 569265350 /nfs/dbraw/zinc/26/53/50/569265350.db2.gz UADXUXJVWCHCMB-KQGBIKSASA-N 1 2 427.545 1.515 40 0 IDABLO CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1=O ZINC000225380178 291321448 /nfs/dbraw/zinc/32/14/48/291321448.db2.gz YYPVVNBNGBSAKK-WBVHZDCISA-N 1 2 441.450 1.744 40 0 biogenic,in-vitro IDABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccccc4Cl)C3)C2=O)o1 ZINC000225397025 291326315 /nfs/dbraw/zinc/32/63/15/291326315.db2.gz DKUMJUWEKWXVQH-APWZRJJASA-N 1 2 429.904 1.800 40 0 biogenic,in-vitro IDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccn3)C2)C(=O)N1Cc1ccccc1Cl ZINC000225392318 291328816 /nfs/dbraw/zinc/32/88/16/291328816.db2.gz XCPADZSZVHGSQU-MJGOQNOKSA-N 1 2 426.904 1.294 40 0 biogenic,in-vitro IDABLO CCOC(=O)CCc1c(C)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O ZINC000013611352 132351766 /nfs/dbraw/zinc/35/17/66/132351766.db2.gz QLARUMNMRSFMGO-UHFFFAOYSA-N 1 2 428.489 1.625 40 0 IDABLO COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020635786 524238377 /nfs/dbraw/zinc/23/83/77/524238377.db2.gz BESCMFDZTPDWST-LLVKDONJSA-N 1 2 432.868 1.622 40 0 IDABLO CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3C[NH+]3CCOCC3)c(=O)n1C2 ZINC000020503631 525187169 /nfs/dbraw/zinc/18/71/69/525187169.db2.gz NIDGYFVVLGDWQS-PKOBYXMFSA-N 1 2 443.569 1.726 40 0 biogenic,in-vitro IDABLO CC[C@@]1(OC(=O)C[NH+](C)C)c2cc3n(c(=O)c2COC1=O)Cc1cc2c(N)cccc2nc1-3 ZINC000001625747 555706770 /nfs/dbraw/zinc/70/67/70/555706770.db2.gz RJACMXMBRAPENC-XMMPIXPASA-N 1 2 448.479 1.774 40 0 IDABLO O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCC[NH+]1CCOCC1 ZINC000408595404 555961705 /nfs/dbraw/zinc/96/17/05/555961705.db2.gz RSQCXWDFWIUXRT-UHFFFAOYSA-N 1 2 445.969 1.388 40 0 IDABLO CNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000408610085 555980441 /nfs/dbraw/zinc/98/04/41/555980441.db2.gz UWHHRPQFWRYVCA-UHFFFAOYSA-N 1 2 445.541 1.600 40 0 IDABLO O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000408618475 555982138 /nfs/dbraw/zinc/98/21/38/555982138.db2.gz JOFNRCOCKTYQCI-UHFFFAOYSA-N 1 2 437.949 1.984 40 0 IDABLO Cc1cc(N(CC(=O)NCCCn2cc[nH+]c2)S(C)(=O)=O)ccc1Br ZINC000408619443 555983675 /nfs/dbraw/zinc/98/36/75/555983675.db2.gz MMWQGQVJOOQKCG-UHFFFAOYSA-N 1 2 429.340 1.927 40 0 IDABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000408619433 555983782 /nfs/dbraw/zinc/98/37/82/555983782.db2.gz HVEOWBQYCWJLGK-UHFFFAOYSA-N 1 2 447.557 1.647 40 0 IDABLO O=C(COc1ccc(N2C[C@@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1)N1CCCC1 ZINC000408615230 555986445 /nfs/dbraw/zinc/98/64/45/555986445.db2.gz NRHAHWKGESYQMA-SFHVURJKSA-N 1 2 439.516 1.444 40 0 IDABLO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000408616511 555987342 /nfs/dbraw/zinc/98/73/42/555987342.db2.gz GXVTZEXRSBKDPQ-UHFFFAOYSA-N 1 2 437.949 1.984 40 0 IDABLO CC1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)CC1 ZINC000019496939 556769386 /nfs/dbraw/zinc/76/93/86/556769386.db2.gz AHGRGDYZHGKXMB-IBGZPJMESA-N 1 2 439.578 1.476 40 0 IDABLO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCN(C4CCCCC4)C(=O)C3)ccc21 ZINC000019572473 556812848 /nfs/dbraw/zinc/81/28/48/556812848.db2.gz ALGZZZVYCVCYBJ-NRFANRHFSA-N 1 2 435.590 1.909 40 0 IDABLO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCN(C4CCCCC4)C(=O)C3)ccc21 ZINC000019572473 556812850 /nfs/dbraw/zinc/81/28/50/556812850.db2.gz ALGZZZVYCVCYBJ-NRFANRHFSA-N 1 2 435.590 1.909 40 0 IDABLO CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2ccc(C[NH+]3CCOCC3)o2)C1 ZINC000019573229 556813522 /nfs/dbraw/zinc/81/35/22/556813522.db2.gz YOYIKOVVUSXDTL-CQSZACIVSA-N 1 2 426.564 1.746 40 0 IDABLO CS(=O)(=O)c1snnc1[C@H]1CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000019573279 556813567 /nfs/dbraw/zinc/81/35/67/556813567.db2.gz LYFAVCLYJBZDBV-ZDUSSCGKSA-N 1 2 433.559 1.761 40 0 IDABLO CS(=O)(=O)c1snnc1[C@H]1CCC[N@@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000019573279 556813569 /nfs/dbraw/zinc/81/35/69/556813569.db2.gz LYFAVCLYJBZDBV-ZDUSSCGKSA-N 1 2 433.559 1.761 40 0 IDABLO CN(C)S(=O)(=O)N1CCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)CC1 ZINC000019583730 556821404 /nfs/dbraw/zinc/82/14/04/556821404.db2.gz ANAQGHSQWPAZCT-UHFFFAOYSA-N 1 2 431.497 1.601 40 0 IDABLO CC[C@H](C(=O)N1CCC(c2nc3c(c(NC)n2)CN(C(C)=O)CC3)CC1)[NH+]1CCOCC1 ZINC000019711427 556876127 /nfs/dbraw/zinc/87/61/27/556876127.db2.gz DEYPYTPEJPGGRJ-HXUWFJFHSA-N 1 2 444.580 1.240 40 0 IDABLO Cc1nc(CCNC(=O)[C@@H]2C[N@H+](Cc3nc(C(F)(F)F)c[nH]3)CC23CCOCC3)no1 ZINC000585102002 557035729 /nfs/dbraw/zinc/03/57/29/557035729.db2.gz VJXHXPQQUHSYGG-ZDUSSCGKSA-N 1 2 442.442 1.707 40 0 IDABLO Cc1nc(CCNC(=O)[C@@H]2C[N@@H+](Cc3nc(C(F)(F)F)c[nH]3)CC23CCOCC3)no1 ZINC000585102002 557035732 /nfs/dbraw/zinc/03/57/32/557035732.db2.gz VJXHXPQQUHSYGG-ZDUSSCGKSA-N 1 2 442.442 1.707 40 0 IDABLO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585103564 557036073 /nfs/dbraw/zinc/03/60/73/557036073.db2.gz HLDHNQHQVQTMJM-FQEVSTJZSA-N 1 2 431.533 1.489 40 0 IDABLO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCN(C)C(=O)C4)C3)CC2)c1 ZINC000585103564 557036076 /nfs/dbraw/zinc/03/60/76/557036076.db2.gz HLDHNQHQVQTMJM-FQEVSTJZSA-N 1 2 431.533 1.489 40 0 IDABLO Cc1cc2c(cc1Br)[C@@H](O)[C@](C[NH+]1CCOCC1)(N1CCOCC1)CO2 ZINC000022941727 557054028 /nfs/dbraw/zinc/05/40/28/557054028.db2.gz JMBQVTAGEXASNE-RTBURBONSA-N 1 2 427.339 1.587 40 0 IDABLO CC(C)n1c2c(nc1C(=O)NCC[NH+]1CCOCC1)CN(C(=O)c1ccccn1)CC2 ZINC000096147130 557177015 /nfs/dbraw/zinc/17/70/15/557177015.db2.gz FNQZMXQWHHRECR-UHFFFAOYSA-N 1 2 426.521 1.120 40 0 IDABLO O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)NCC[NH+]1CCOCC1 ZINC000219164362 557229206 /nfs/dbraw/zinc/22/92/06/557229206.db2.gz HVGBQKOLHKLAOX-UHFFFAOYSA-N 1 2 435.933 1.964 40 0 IDABLO O=C1C[C@H]([NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100209898 557247829 /nfs/dbraw/zinc/24/78/29/557247829.db2.gz IRUPSXQTVYIEDD-IBGZPJMESA-N 1 2 431.489 1.901 40 0 IDABLO COc1ccc2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000057640334 557256064 /nfs/dbraw/zinc/25/60/64/557256064.db2.gz PWNPNADXHWJVSA-SFHVURJKSA-N 1 2 428.493 1.087 40 0 IDABLO COc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000057640334 557256066 /nfs/dbraw/zinc/25/60/66/557256066.db2.gz PWNPNADXHWJVSA-SFHVURJKSA-N 1 2 428.493 1.087 40 0 IDABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013496004 557326465 /nfs/dbraw/zinc/32/64/65/557326465.db2.gz VPPFJXSDMBHYPS-IBGZPJMESA-N 1 2 442.520 1.722 40 0 IDABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013496004 557326468 /nfs/dbraw/zinc/32/64/68/557326468.db2.gz VPPFJXSDMBHYPS-IBGZPJMESA-N 1 2 442.520 1.722 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013510357 557331890 /nfs/dbraw/zinc/33/18/90/557331890.db2.gz RARKABHZWWBVBD-IBGZPJMESA-N 1 2 442.520 1.477 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013510357 557331896 /nfs/dbraw/zinc/33/18/96/557331896.db2.gz RARKABHZWWBVBD-IBGZPJMESA-N 1 2 442.520 1.477 40 0 IDABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1N1C(=O)CCC1=O ZINC000222693837 557374962 /nfs/dbraw/zinc/37/49/62/557374962.db2.gz QGMCZFYNEDDYFM-UHFFFAOYSA-N 1 2 443.525 1.855 40 0 IDABLO COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000223646473 557496643 /nfs/dbraw/zinc/49/66/43/557496643.db2.gz CHSZRAPWRREODF-UHFFFAOYSA-N 1 2 439.559 1.741 40 0 IDABLO Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000223648242 557496913 /nfs/dbraw/zinc/49/69/13/557496913.db2.gz HHOBWXDLVUDRSU-UHFFFAOYSA-N 1 2 427.523 1.871 40 0 IDABLO COCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000019823875 557508283 /nfs/dbraw/zinc/50/82/83/557508283.db2.gz QUVDWDZYWPRPAT-UHFFFAOYSA-N 1 2 432.590 1.800 40 0 IDABLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCn1cc[nH+]c1 ZINC000224133736 557565055 /nfs/dbraw/zinc/56/50/55/557565055.db2.gz SFLLHSXAXNCNEK-UHFFFAOYSA-N 1 2 436.534 1.052 40 0 IDABLO CN([C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1)S(C)(=O)=O ZINC000225126691 557690191 /nfs/dbraw/zinc/69/01/91/557690191.db2.gz PEJIORUPFFUQNC-OAQYLSRUSA-N 1 2 431.558 1.768 40 0 IDABLO C[C@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225903114 557789622 /nfs/dbraw/zinc/78/96/22/557789622.db2.gz CPNWPLABYAGTHC-KRWDZBQOSA-N 1 2 433.626 1.932 40 0 IDABLO CN1C(=O)N(CC(=O)N2CCC[C@@H]2c2cncc(-n3cc[nH+]c3)n2)C(=O)C12CCCCC2 ZINC000257200954 568665401 /nfs/dbraw/zinc/66/54/01/568665401.db2.gz AFMUDYHSPUKJBN-QGZVFWFLSA-N 1 2 437.504 1.923 40 0 IDABLO Cc1[nH]c2ccc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)cc2[nH+]1 ZINC000257232295 568680125 /nfs/dbraw/zinc/68/01/25/568680125.db2.gz GKGKRHFKQJMRPH-XMSQKQJNSA-N 1 2 425.489 1.599 40 0 IDABLO Cc1[nH]c2cc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc2[nH+]1 ZINC000257232295 568680129 /nfs/dbraw/zinc/68/01/29/568680129.db2.gz GKGKRHFKQJMRPH-XMSQKQJNSA-N 1 2 425.489 1.599 40 0 IDABLO Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCCN(C(=O)CCNc2ncnc3ccccc32)CC1 ZINC000257248681 568687775 /nfs/dbraw/zinc/68/77/75/568687775.db2.gz JETHNQSJVSNOFL-JOCHJYFZSA-N 1 2 434.504 1.773 40 0 IDABLO Nc1nc2c(c(N)[nH+]1)C[C@]1(CCCN(C(=O)CCNc3ncnc4ccccc43)CC1)O2 ZINC000257248681 568687776 /nfs/dbraw/zinc/68/77/76/568687776.db2.gz JETHNQSJVSNOFL-JOCHJYFZSA-N 1 2 434.504 1.773 40 0 IDABLO CC(C)c1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257286448 568704995 /nfs/dbraw/zinc/70/49/95/568704995.db2.gz PLPRNIJJZDDPOW-TXTKFYIRSA-N 1 2 441.576 1.722 40 0 IDABLO CC(C)c1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257286448 568704996 /nfs/dbraw/zinc/70/49/96/568704996.db2.gz PLPRNIJJZDDPOW-TXTKFYIRSA-N 1 2 441.576 1.722 40 0 IDABLO O=C1N(Cc2ccccc2)CC=CC[C@@]12C[N@H+](Cc1cnc(N3CCOCC3)nc1)CCO2 ZINC000257302040 568712100 /nfs/dbraw/zinc/71/21/00/568712100.db2.gz SBEDQTZBRWZTNJ-RUZDIDTESA-N 1 2 449.555 1.873 40 0 IDABLO O=C1N(Cc2ccccc2)CC=CC[C@@]12C[N@@H+](Cc1cnc(N3CCOCC3)nc1)CCO2 ZINC000257302040 568712104 /nfs/dbraw/zinc/71/21/04/568712104.db2.gz SBEDQTZBRWZTNJ-RUZDIDTESA-N 1 2 449.555 1.873 40 0 IDABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)CN4CCOCC4)CCO3)c2)n1 ZINC000257312092 568716255 /nfs/dbraw/zinc/71/62/55/568716255.db2.gz UMMJKHQTFLEFJM-FQEVSTJZSA-N 1 2 426.521 1.773 40 0 IDABLO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1 ZINC000257319453 568719635 /nfs/dbraw/zinc/71/96/35/568719635.db2.gz VSPQMXYDMMPZHB-FPOVZHCZSA-N 1 2 439.578 1.665 40 0 IDABLO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cc1 ZINC000257319453 568719639 /nfs/dbraw/zinc/71/96/39/568719639.db2.gz VSPQMXYDMMPZHB-FPOVZHCZSA-N 1 2 439.578 1.665 40 0 IDABLO O=C(NCCCn1cc[nH+]c1)c1cn2c(nc1=O)[C@@]1(CC2)CCN(C(=O)c2ccccc2)C1 ZINC000306126585 568764498 /nfs/dbraw/zinc/76/44/98/568764498.db2.gz DZQSNOXGOMBVMR-DEOSSOPVSA-N 1 2 446.511 1.448 40 0 IDABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)c4ccn(C)n4)C[C@@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306131100 568766368 /nfs/dbraw/zinc/76/63/68/568766368.db2.gz JWPMBDAISMJLJF-IERDGZPVSA-N 1 2 439.545 1.577 40 0 IDABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000197917546 569255400 /nfs/dbraw/zinc/25/54/00/569255400.db2.gz SPBMJJYWQZRUJD-INIZCTEOSA-N 1 2 430.578 1.964 40 0 IDABLO CC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3[nH+]ccn3C)[C@@H]2CO)cc1 ZINC000072321517 291321025 /nfs/dbraw/zinc/32/10/25/291321025.db2.gz ZQLBXDLNGCGZCJ-YLJYHZDGSA-N 1 2 436.534 1.279 40 0 biogenic,in-vitro IDABLO COC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=[NH+][C@H]1c1ccco1 ZINC000020478141 523668925 /nfs/dbraw/zinc/66/89/25/523668925.db2.gz WEJFDOYYMOPKSQ-OALUTQOASA-N 1 2 440.456 1.142 40 0 IDABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C[C@H]3C(=O)NCC[N@H+]3C)cc2n1 ZINC000012230589 523778964 /nfs/dbraw/zinc/77/89/64/523778964.db2.gz DVHRGPYCINQRHW-GJZGRUSLSA-N 1 2 438.454 1.794 40 0 IDABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C[C@H]3C(=O)NCC[N@@H+]3C)cc2n1 ZINC000012230589 523778973 /nfs/dbraw/zinc/77/89/73/523778973.db2.gz DVHRGPYCINQRHW-GJZGRUSLSA-N 1 2 438.454 1.794 40 0 IDABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)OCO2 ZINC000020454696 525153042 /nfs/dbraw/zinc/15/30/42/525153042.db2.gz RHLKXHRSOKWNEV-UHFFFAOYSA-N 1 2 428.470 1.683 40 0 IDABLO CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000022231390 525158770 /nfs/dbraw/zinc/15/87/70/525158770.db2.gz DBRAMWFGPWHGJR-UHFFFAOYSA-N 1 2 447.557 1.480 40 0 IDABLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000408587041 555939802 /nfs/dbraw/zinc/93/98/02/555939802.db2.gz BBVWKXMPQYTOJA-OAHLLOKOSA-N 1 2 445.969 1.198 40 0 IDABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)cc2)cc1C ZINC000408589319 555940047 /nfs/dbraw/zinc/94/00/47/555940047.db2.gz FAGPCPARDVXNIU-UHFFFAOYSA-N 1 2 447.557 1.931 40 0 IDABLO Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCC[NH+]1CCOCC1 ZINC000408592761 555954241 /nfs/dbraw/zinc/95/42/41/555954241.db2.gz LPYAKWWWRADDSA-UHFFFAOYSA-N 1 2 447.557 1.301 40 0 IDABLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCOCC3)C2)cc1Cl ZINC000408595690 555962167 /nfs/dbraw/zinc/96/21/67/555962167.db2.gz SPWGEHDATDYGNA-HNNXBMFYSA-N 1 2 445.969 1.198 40 0 IDABLO CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000044886107 556675606 /nfs/dbraw/zinc/67/56/06/556675606.db2.gz JCHCYKSTRIKKGK-UHFFFAOYSA-N 1 2 431.493 1.941 40 0 IDABLO CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000044904234 556679269 /nfs/dbraw/zinc/67/92/69/556679269.db2.gz ZXSOTQFYWDXCHB-UHFFFAOYSA-N 1 2 431.493 1.941 40 0 IDABLO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1 ZINC000019023069 556694562 /nfs/dbraw/zinc/69/45/62/556694562.db2.gz JPSLGQNJYOGKFU-IBGZPJMESA-N 1 2 446.529 1.350 40 0 IDABLO CC(=O)Oc1ccc(C[N@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1 ZINC000019023069 556694565 /nfs/dbraw/zinc/69/45/65/556694565.db2.gz JPSLGQNJYOGKFU-IBGZPJMESA-N 1 2 446.529 1.350 40 0 IDABLO O=C1C[C@@H]2CCN3C[C@H]2[C@@H](O1)[C@@H](O)COc1ccc(Br)cc1C[NH2+]CC3=O ZINC000072320672 556709500 /nfs/dbraw/zinc/70/95/00/556709500.db2.gz FATGSPLXZUHMEA-WLSFQCJRSA-N 1 2 439.306 1.072 40 0 IDABLO CCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000000891218 556739626 /nfs/dbraw/zinc/73/96/26/556739626.db2.gz CJXOABXWNYATJX-UHFFFAOYSA-N 1 2 432.546 1.328 40 0 IDABLO O=C(C[N@@H+]1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)Nc1ccc2c(c1)OCCO2 ZINC000019346190 556742844 /nfs/dbraw/zinc/74/28/44/556742844.db2.gz ABKFLSFTMBBBHY-UHFFFAOYSA-N 1 2 425.489 1.528 40 0 IDABLO O=C(C[N@H+]1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)Nc1ccc2c(c1)OCCO2 ZINC000019346190 556742849 /nfs/dbraw/zinc/74/28/49/556742849.db2.gz ABKFLSFTMBBBHY-UHFFFAOYSA-N 1 2 425.489 1.528 40 0 IDABLO Cc1[nH]c(/C=C2/C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000018825342 556742890 /nfs/dbraw/zinc/74/28/90/556742890.db2.gz CTNPALGJUAXMMC-HKJBKDEOSA-N 1 2 442.491 1.686 40 0 IDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(S(=O)(=O)C(C)C)C4)nc3C2)cc1 ZINC000019451008 556761505 /nfs/dbraw/zinc/76/15/05/556761505.db2.gz ROZHPDXRMITQPJ-KRWDZBQOSA-N 1 2 446.573 1.864 40 0 IDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(S(=O)(=O)C(C)C)C4)nc3C2)cc1 ZINC000019451008 556761509 /nfs/dbraw/zinc/76/15/09/556761509.db2.gz ROZHPDXRMITQPJ-KRWDZBQOSA-N 1 2 446.573 1.864 40 0 IDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(S(=O)(=O)C(C)C)C4)nc3C2)cc1 ZINC000019451006 556761541 /nfs/dbraw/zinc/76/15/41/556761541.db2.gz ROZHPDXRMITQPJ-QGZVFWFLSA-N 1 2 446.573 1.864 40 0 IDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(S(=O)(=O)C(C)C)C4)nc3C2)cc1 ZINC000019451006 556761543 /nfs/dbraw/zinc/76/15/43/556761543.db2.gz ROZHPDXRMITQPJ-QGZVFWFLSA-N 1 2 446.573 1.864 40 0 IDABLO Cc1cc(C)n(C)c(=O)c1C(=O)NCCc1cc(N2CCOCC2)nc(N2CCCC2)[nH+]1 ZINC000019572261 556812534 /nfs/dbraw/zinc/81/25/34/556812534.db2.gz RKEKFAWQRVYUOL-UHFFFAOYSA-N 1 2 440.548 1.201 40 0 IDABLO CCCN1C[C@@H](C(=O)N2CCC(c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)CC2)CC1=O ZINC000019708371 556868905 /nfs/dbraw/zinc/86/89/05/556868905.db2.gz JQRHQODNAUXTCG-FQEVSTJZSA-N 1 2 441.576 1.434 40 0 IDABLO COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000006148922 557146037 /nfs/dbraw/zinc/14/60/37/557146037.db2.gz NMAPKVWHIZMFHZ-FQEVSTJZSA-N 1 2 442.520 2.000 40 0 IDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096083912 557168961 /nfs/dbraw/zinc/16/89/61/557168961.db2.gz CVTKJKBZPIGWNM-UHFFFAOYSA-N 1 2 435.525 1.308 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144495 557172814 /nfs/dbraw/zinc/17/28/14/557172814.db2.gz SJUCXFVEAOAIRX-WIOPSUGQSA-N 1 2 435.524 1.822 40 0 IDABLO CS(=O)(=O)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000604381006 557236133 /nfs/dbraw/zinc/23/61/33/557236133.db2.gz AUTAKMOJECFMJX-OAHLLOKOSA-N 1 2 435.468 1.116 40 0 biogenic,in-vitro IDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000220009325 557276913 /nfs/dbraw/zinc/27/69/13/557276913.db2.gz RPJOQUXPHNRCGH-UHFFFAOYSA-N 1 2 442.585 1.894 40 0 IDABLO CC[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000220750853 557311746 /nfs/dbraw/zinc/31/17/46/557311746.db2.gz PPABGWUCRGRMAU-MRXNPFEDSA-N 1 2 433.958 1.342 40 0 IDABLO COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000223124980 557435327 /nfs/dbraw/zinc/43/53/27/557435327.db2.gz GQUDJEBIXMIVGP-UHFFFAOYSA-N 1 2 447.557 1.464 40 0 IDABLO Cn1c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CC[NH+](C)CC4)c3)cc2sc1=O ZINC000225058849 557683882 /nfs/dbraw/zinc/68/38/82/557683882.db2.gz OLNFMMQTIOTJJN-UHFFFAOYSA-N 1 2 446.554 1.788 40 0 IDABLO CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000225638518 557755182 /nfs/dbraw/zinc/75/51/82/557755182.db2.gz DYHWEKFDDBGQBD-UHFFFAOYSA-N 1 2 439.563 1.443 40 0 IDABLO Cc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905280 557789988 /nfs/dbraw/zinc/78/99/88/557789988.db2.gz MSOIVEWKGFLSMO-UHFFFAOYSA-N 1 2 441.605 1.730 40 0 IDABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1 ZINC000257201756 568666095 /nfs/dbraw/zinc/66/60/95/568666095.db2.gz AIXNJOLUVRWTPW-VGOFRKELSA-N 1 2 425.489 1.647 40 0 IDABLO CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257233539 568680863 /nfs/dbraw/zinc/68/08/63/568680863.db2.gz GPQSEUUUKVTRFT-VGOFRKELSA-N 1 2 425.489 1.394 40 0 IDABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1 ZINC000257240401 568684025 /nfs/dbraw/zinc/68/40/25/568684025.db2.gz HTGVEJPPZHQKSH-XMSQKQJNSA-N 1 2 425.489 1.612 40 0 IDABLO CCc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@@](C)(O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257255447 568691006 /nfs/dbraw/zinc/69/10/06/568691006.db2.gz KHMQHZCILUKSMM-WZONZLPQSA-N 1 2 439.516 1.784 40 0 IDABLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)ccc1OCC(N)=O ZINC000257290217 568706881 /nfs/dbraw/zinc/70/68/81/568706881.db2.gz QCBHHCOAGAPTMF-JOCHJYFZSA-N 1 2 435.484 1.985 40 0 IDABLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)ccc1OCC(N)=O ZINC000257290217 568706883 /nfs/dbraw/zinc/70/68/83/568706883.db2.gz QCBHHCOAGAPTMF-JOCHJYFZSA-N 1 2 435.484 1.985 40 0 IDABLO COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+]2CCOCC2)c1 ZINC000257319282 568719712 /nfs/dbraw/zinc/71/97/12/568719712.db2.gz VRSJDHONECMXQE-CZYKHXBRSA-N 1 2 430.476 1.846 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000247835748 569206155 /nfs/dbraw/zinc/20/61/55/569206155.db2.gz MHVHYRDHICVICQ-FBAVSBLXSA-N 1 2 441.415 1.013 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000247835748 569206156 /nfs/dbraw/zinc/20/61/56/569206156.db2.gz MHVHYRDHICVICQ-FBAVSBLXSA-N 1 2 441.415 1.013 40 0 IDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 ZINC000250672041 569207873 /nfs/dbraw/zinc/20/78/73/569207873.db2.gz MXEGWLMTZZTNRV-GUYCJALGSA-N 1 2 446.456 1.167 40 0 IDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 ZINC000250672041 569207874 /nfs/dbraw/zinc/20/78/74/569207874.db2.gz MXEGWLMTZZTNRV-GUYCJALGSA-N 1 2 446.456 1.167 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015592724 569225502 /nfs/dbraw/zinc/22/55/02/569225502.db2.gz ALINAFLYWKEBHO-UHFFFAOYSA-N 1 2 431.558 1.689 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000022607561 569241723 /nfs/dbraw/zinc/24/17/23/569241723.db2.gz MHVHYRDHICVICQ-AYMMHLMVSA-N 1 2 441.415 1.013 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccco1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000022607561 569241724 /nfs/dbraw/zinc/24/17/24/569241724.db2.gz MHVHYRDHICVICQ-AYMMHLMVSA-N 1 2 441.415 1.013 40 0 IDABLO Cc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)S(C)(=O)=O ZINC000026539453 569242639 /nfs/dbraw/zinc/24/26/39/569242639.db2.gz QNUGHVMMSIJVHZ-UHFFFAOYSA-N 1 2 445.541 1.834 40 0 IDABLO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000108017158 569252021 /nfs/dbraw/zinc/25/20/21/569252021.db2.gz WOGRMDMRZQEQQQ-INIZCTEOSA-N 1 2 431.514 1.427 40 0 IDABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000147938270 569255190 /nfs/dbraw/zinc/25/51/90/569255190.db2.gz XWZPPYRAUPROIX-INIZCTEOSA-N 1 2 430.578 1.964 40 0 IDABLO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000018825339 581091630 /nfs/dbraw/zinc/09/16/30/581091630.db2.gz CTNPALGJUAXMMC-LTKMBJGESA-N 1 2 442.491 1.686 40 0 IDABLO CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000044905132 521958585 /nfs/dbraw/zinc/95/85/85/521958585.db2.gz GKRHDUGQQLMVRA-UHFFFAOYSA-N 1 2 431.493 1.941 40 0 IDABLO CCc1noc(CCC(=O)N2CCC[C@H](c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)C2)n1 ZINC000072345755 522896682 /nfs/dbraw/zinc/89/66/82/522896682.db2.gz ZYRRFYDLKORJKP-SFHVURJKSA-N 1 2 440.548 1.753 40 0 IDABLO COC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=[NH+][C@@H]1c1ccco1 ZINC000020478137 523668334 /nfs/dbraw/zinc/66/83/34/523668334.db2.gz WEJFDOYYMOPKSQ-RBUKOAKNSA-N 1 2 440.456 1.142 40 0 IDABLO C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)C[NH+]4CCCC4)CC3)n2)C1 ZINC000072335940 524108648 /nfs/dbraw/zinc/10/86/48/524108648.db2.gz SXOUNAZFTSAJPT-KRWDZBQOSA-N 1 2 449.621 1.918 40 0 IDABLO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)C[N@@H+]21)NCc1ccccc1 ZINC000012530467 526561513 /nfs/dbraw/zinc/56/15/13/526561513.db2.gz HDKFVELUNABEHB-KSZLIROESA-N 1 2 426.542 1.516 40 0 biogenic,in-vitro IDABLO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccs3)C[N@H+]21)NCc1ccccc1 ZINC000012530467 526561517 /nfs/dbraw/zinc/56/15/17/526561517.db2.gz HDKFVELUNABEHB-KSZLIROESA-N 1 2 426.542 1.516 40 0 biogenic,in-vitro IDABLO CC[C@]1(OC(=O)C[NH+](C)C)c2cc3n(c(=O)c2COC1=O)Cc1cc2c(N)cccc2nc1-3 ZINC000001625748 555706786 /nfs/dbraw/zinc/70/67/86/555706786.db2.gz RJACMXMBRAPENC-DEOSSOPVSA-N 1 2 448.479 1.774 40 0 IDABLO Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)cc2)c1 ZINC000408590065 555947207 /nfs/dbraw/zinc/94/72/07/555947207.db2.gz GVGPNWGRQNMKDQ-UHFFFAOYSA-N 1 2 447.557 1.931 40 0 IDABLO CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408603523 555972684 /nfs/dbraw/zinc/97/26/84/555972684.db2.gz KOEQSUSCROYAJY-QGZVFWFLSA-N 1 2 427.567 1.227 40 0 IDABLO COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)cc2)c1 ZINC000408613124 555978459 /nfs/dbraw/zinc/97/84/59/555978459.db2.gz ZXMZFZMTFSVAEN-UHFFFAOYSA-N 1 2 449.529 1.323 40 0 IDABLO CCOc1ccccc1N(CC(=O)NCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408619476 555983703 /nfs/dbraw/zinc/98/37/03/555983703.db2.gz MRDIHDOYGWAPJX-UHFFFAOYSA-N 1 2 447.557 1.729 40 0 IDABLO Cc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408625423 555995893 /nfs/dbraw/zinc/99/58/93/555995893.db2.gz UWYVVPASJHMSPE-UHFFFAOYSA-N 1 2 435.521 1.778 40 0 IDABLO COCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000408627049 555997725 /nfs/dbraw/zinc/99/77/25/555997725.db2.gz XRSYUQLQELEVLD-UHFFFAOYSA-N 1 2 431.558 1.878 40 0 IDABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCCCC1)OCO3 ZINC000006445200 556088271 /nfs/dbraw/zinc/08/82/71/556088271.db2.gz ZRNVWJMCEYFMAK-QRWLVFNGSA-N 1 2 438.488 1.998 40 0 IDABLO CN1c2ccccc2[C@@]2(OCc3ccccc3N2C(=O)C[NH+]2CCC(C(N)=O)CC2)C1=O ZINC000010157788 556327475 /nfs/dbraw/zinc/32/74/75/556327475.db2.gz UUFXNVHCSGLHKH-XMMPIXPASA-N 1 2 434.496 1.577 40 0 IDABLO O=C1C[C@@H](c2ccccc2O)Cc2c1cnc1nc(NCC[NH+]3CCOCC3)[nH]c(=O)c12 ZINC000038829523 556620748 /nfs/dbraw/zinc/62/07/48/556620748.db2.gz QKGIALZQXQYOEK-AWEZNQCLSA-N 1 2 435.484 1.681 40 0 IDABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCO2 ZINC000044840860 556668432 /nfs/dbraw/zinc/66/84/32/556668432.db2.gz RHNWTAQTGSDNSA-UHFFFAOYSA-N 1 2 428.470 1.683 40 0 IDABLO CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccnc(N4CC[NH+](C)CC4)n2)CC3)CC1 ZINC000019496943 556769369 /nfs/dbraw/zinc/76/93/69/556769369.db2.gz JZEGNVMMABMEGN-UHFFFAOYSA-N 1 2 438.580 1.106 40 0 IDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)Cn5cccn5)C4)nc3C2)cc1 ZINC000019555636 556798638 /nfs/dbraw/zinc/79/86/38/556798638.db2.gz KGYCMJPTHQERTC-GOSISDBHSA-N 1 2 448.527 1.962 40 0 IDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)Cn5cccn5)C4)nc3C2)cc1 ZINC000019555636 556798643 /nfs/dbraw/zinc/79/86/43/556798643.db2.gz KGYCMJPTHQERTC-GOSISDBHSA-N 1 2 448.527 1.962 40 0 IDABLO C[C@@]1(C(=O)c2ccccc2N)[C@H](C(=O)NCc2ccncc2)[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000019575388 556814745 /nfs/dbraw/zinc/81/47/45/556814745.db2.gz NLTODKOYJSOLPN-NMMYMHLASA-N 1 2 446.511 1.428 40 0 IDABLO C[NH+]1CCN(C(=O)c2ccc(C3CCN(C(=O)CN4CCCCCC4=O)CC3)nc2)CC1 ZINC000019708332 556868747 /nfs/dbraw/zinc/86/87/47/556868747.db2.gz OCCDXFKLCNUHJJ-UHFFFAOYSA-N 1 2 441.576 1.578 40 0 IDABLO COCCNC(=O)C[N@@H+]1CCC[C@H](c2nc3c(c(C)n2)CC(=O)N3Cc2ccccc2)C1 ZINC000019744473 556890730 /nfs/dbraw/zinc/89/07/30/556890730.db2.gz PTWFTOBYYVXXRJ-IBGZPJMESA-N 1 2 437.544 1.816 40 0 IDABLO COCCNC(=O)C[N@H+]1CCC[C@H](c2nc3c(c(C)n2)CC(=O)N3Cc2ccccc2)C1 ZINC000019744473 556890735 /nfs/dbraw/zinc/89/07/35/556890735.db2.gz PTWFTOBYYVXXRJ-IBGZPJMESA-N 1 2 437.544 1.816 40 0 IDABLO Cc1nc([C@H]2CCCN2C(=O)c2cccc(OCC[NH+]3CCOCC3)c2)ncc1C(N)=O ZINC000019756018 556899579 /nfs/dbraw/zinc/89/95/79/556899579.db2.gz SRGFJPSXRKJBPX-HXUWFJFHSA-N 1 2 439.516 1.572 40 0 IDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327614 556904534 /nfs/dbraw/zinc/90/45/34/556904534.db2.gz UGKSZTJAZAHFGG-GAJHUEQPSA-N 1 2 429.517 1.240 40 0 IDABLO Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000409146325 556977296 /nfs/dbraw/zinc/97/72/96/556977296.db2.gz SCQDSLMSXFKWFI-UHFFFAOYSA-N 1 2 431.514 1.346 40 0 IDABLO Cc1nc(CCNC(=O)[C@H]2C[N@H+](Cc3nc(C(F)(F)F)c[nH]3)CC23CCOCC3)no1 ZINC000585102001 557035751 /nfs/dbraw/zinc/03/57/51/557035751.db2.gz VJXHXPQQUHSYGG-CYBMUJFWSA-N 1 2 442.442 1.707 40 0 IDABLO Cc1nc(CCNC(=O)[C@H]2C[N@@H+](Cc3nc(C(F)(F)F)c[nH]3)CC23CCOCC3)no1 ZINC000585102001 557035755 /nfs/dbraw/zinc/03/57/55/557035755.db2.gz VJXHXPQQUHSYGG-CYBMUJFWSA-N 1 2 442.442 1.707 40 0 IDABLO COc1ncc(C[N@@H+]2CCO[C@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C ZINC000585102326 557036831 /nfs/dbraw/zinc/03/68/31/557036831.db2.gz ZPGUCKPFCGAFEU-GCJKJVERSA-N 1 2 427.505 1.173 40 0 IDABLO COc1ncc(C[N@H+]2CCO[C@]3(CO[C@@H](C(=O)NCc4ncc(C)cn4)C3)C2)cc1C ZINC000585102326 557036835 /nfs/dbraw/zinc/03/68/35/557036835.db2.gz ZPGUCKPFCGAFEU-GCJKJVERSA-N 1 2 427.505 1.173 40 0 IDABLO Cc1cc2c(c(Br)c1C)OC[C@@](C[NH+]1CCOCC1)(N1CCOCC1)[C@@H]2O ZINC000022942755 557054297 /nfs/dbraw/zinc/05/42/97/557054297.db2.gz IKDQRRJWCKHGHC-WOJBJXKFSA-N 1 2 441.366 1.895 40 0 IDABLO Cc1cc2c(c(Br)c1C)OC[C@](C[NH+]1CCOCC1)(N1CCOCC1)[C@H]2O ZINC000022942751 557054464 /nfs/dbraw/zinc/05/44/64/557054464.db2.gz IKDQRRJWCKHGHC-PMACEKPBSA-N 1 2 441.366 1.895 40 0 IDABLO CC1=NN(C)[C@H]2C(N3CCN(CC(=O)c4cccc(Br)c4)CC3)=[NH+]C=N[C@H]12 ZINC000082086856 557058098 /nfs/dbraw/zinc/05/80/98/557058098.db2.gz AWFOCXPRMSCNGN-QZTJIDSGSA-N 1 2 431.338 1.748 40 0 IDABLO Cn1cnc(S(=O)(=O)N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)c[nH+]c43)CC2)c1 ZINC000096080106 557168636 /nfs/dbraw/zinc/16/86/36/557168636.db2.gz BUVZCSUASJLUEA-UHFFFAOYSA-N 1 2 440.529 1.509 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144493 557172733 /nfs/dbraw/zinc/17/27/33/557172733.db2.gz SJUCXFVEAOAIRX-RCZVLFRGSA-N 1 2 435.524 1.822 40 0 IDABLO COc1ccc(CC(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)cc1 ZINC000096254915 557189312 /nfs/dbraw/zinc/18/93/12/557189312.db2.gz HVWMZIHGVISARC-UHFFFAOYSA-N 1 2 425.533 1.558 40 0 IDABLO COc1cccc(NC(=O)N2CCC3(CC2)c2[nH+]cc(C)n2CCN3S(C)(=O)=O)c1 ZINC000096263281 557191128 /nfs/dbraw/zinc/19/11/28/557191128.db2.gz SZQUBFCWZUALQB-UHFFFAOYSA-N 1 2 433.534 1.999 40 0 IDABLO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)NCC[NH+]1CCOCC1 ZINC000219143128 557227916 /nfs/dbraw/zinc/22/79/16/557227916.db2.gz UNZSIMAZAMFQOH-UHFFFAOYSA-N 1 2 427.523 1.531 40 0 IDABLO CCOC(=O)Cn1nnnc1C[N@H+](CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057640350 557255914 /nfs/dbraw/zinc/25/59/14/557255914.db2.gz DAJCAMAAZAHSLW-UHFFFAOYSA-N 1 2 428.493 1.079 40 0 IDABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057640350 557255917 /nfs/dbraw/zinc/25/59/17/557255917.db2.gz DAJCAMAAZAHSLW-UHFFFAOYSA-N 1 2 428.493 1.079 40 0 IDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220688011 557306983 /nfs/dbraw/zinc/30/69/83/557306983.db2.gz GWLPCISSJNEEHQ-HNNXBMFYSA-N 1 2 438.377 1.986 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](CC)c3nnnn3CCOC)cc2c1 ZINC000013510416 557332030 /nfs/dbraw/zinc/33/20/30/557332030.db2.gz RFEGDELIJOCOHJ-HXUWFJFHSA-N 1 2 444.536 1.895 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](CC)c3nnnn3CCOC)cc2c1 ZINC000013510416 557332032 /nfs/dbraw/zinc/33/20/32/557332032.db2.gz RFEGDELIJOCOHJ-HXUWFJFHSA-N 1 2 444.536 1.895 40 0 IDABLO Cc1ccccc1NC(=O)[C@H]1CC(=O)NC(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=N1 ZINC000014606998 557447209 /nfs/dbraw/zinc/44/72/09/557447209.db2.gz WDJLYPNBLANHDL-LJQANCHMSA-N 1 2 449.511 1.725 40 0 IDABLO Cc1cccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)=N2)c1 ZINC000014606999 557447330 /nfs/dbraw/zinc/44/73/30/557447330.db2.gz ADJQVTRQKPCMCY-IBGZPJMESA-N 1 2 449.511 1.725 40 0 IDABLO CN(c1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000223336876 557460156 /nfs/dbraw/zinc/46/01/56/557460156.db2.gz OTHKNWSLYZAZSI-UHFFFAOYSA-N 1 2 447.557 1.610 40 0 IDABLO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[NH+]3CCOCC3)s2)cc1 ZINC000223448343 557472981 /nfs/dbraw/zinc/47/29/81/557472981.db2.gz QABMCELYJJYCRE-UHFFFAOYSA-N 1 2 425.536 1.099 40 0 IDABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NCCOC)cc2c1 ZINC000019822965 557507851 /nfs/dbraw/zinc/50/78/51/557507851.db2.gz LDDTXGYHGTYMGZ-UHFFFAOYSA-N 1 2 432.590 1.746 40 0 IDABLO COCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019823459 557508262 /nfs/dbraw/zinc/50/82/62/557508262.db2.gz BWGXUIPIKAOBOO-UHFFFAOYSA-N 1 2 432.590 1.800 40 0 IDABLO Cc1ccc(CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)S(C)(=O)=O)cc1 ZINC000225872173 557787553 /nfs/dbraw/zinc/78/75/53/557787553.db2.gz FSHMCPAGZJEIQI-UHFFFAOYSA-N 1 2 445.585 1.905 40 0 IDABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)CN(Cc2c[nH+]c[nH]2)CCO1)N1CCOCC1 ZINC000257216433 568672501 /nfs/dbraw/zinc/67/25/01/568672501.db2.gz CUNBTZLXCKHCPU-NRFANRHFSA-N 1 2 434.924 1.962 40 0 IDABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)CN(Cc2c[nH]c[nH+]2)CCO1)N1CCOCC1 ZINC000257216433 568672505 /nfs/dbraw/zinc/67/25/05/568672505.db2.gz CUNBTZLXCKHCPU-NRFANRHFSA-N 1 2 434.924 1.962 40 0 IDABLO O=C(CCCc1nc2cc(Cl)ccc2[nH]1)N[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257256334 568691425 /nfs/dbraw/zinc/69/14/25/568691425.db2.gz KKZOMRWTHSDHOY-QLVMHMETSA-N 1 2 433.940 1.369 40 0 IDABLO O=C(CCCc1nc2cc(Cl)ccc2[nH]1)N[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257256334 568691427 /nfs/dbraw/zinc/69/14/27/568691427.db2.gz KKZOMRWTHSDHOY-QLVMHMETSA-N 1 2 433.940 1.369 40 0 IDABLO Cc1[nH]c2ccc(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5c4nccc5C(N)=O)C3)cc2[nH+]1 ZINC000257260933 568693476 /nfs/dbraw/zinc/69/34/76/568693476.db2.gz LFCUCGLEQHDEKS-WOJBJXKFSA-N 1 2 432.484 1.697 40 0 IDABLO Cc1[nH]c2cc(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5c4nccc5C(N)=O)C3)ccc2[nH+]1 ZINC000257260933 568693479 /nfs/dbraw/zinc/69/34/79/568693479.db2.gz LFCUCGLEQHDEKS-WOJBJXKFSA-N 1 2 432.484 1.697 40 0 IDABLO Cc1cc(OC(C)(C)C(=O)N2CC[C@@H](O)[C@@H](O)[C@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000257261992 568694101 /nfs/dbraw/zinc/69/41/01/568694101.db2.gz LJOQSIPUQXNTRX-QRVBRYPASA-N 1 2 426.941 1.461 40 0 IDABLO Cc1cc2[nH+]c(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cc(C)c(=O)[nH]c4=O)C3)[nH]c2c(C)c1 ZINC000257270421 568697861 /nfs/dbraw/zinc/69/78/61/568697861.db2.gz MUDPNACOXRBRBU-UZUQRXQVSA-N 1 2 439.516 1.908 40 0 IDABLO NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000257300315 568711417 /nfs/dbraw/zinc/71/14/17/568711417.db2.gz RTUVZRJTBOIHED-DEOSSOPVSA-N 1 2 438.528 1.452 40 0 IDABLO CCc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257306449 568714080 /nfs/dbraw/zinc/71/40/80/568714080.db2.gz SUIGUPUWNKGPNP-DNVFCKCGSA-N 1 2 427.549 1.161 40 0 IDABLO CCc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257306449 568714083 /nfs/dbraw/zinc/71/40/83/568714083.db2.gz SUIGUPUWNKGPNP-DNVFCKCGSA-N 1 2 427.549 1.161 40 0 IDABLO COCCN1C[C@]2(CC[N@H+](Cc3cccnc3OC)C2)Oc2ccccc2S1(=O)=O ZINC000306140150 568771507 /nfs/dbraw/zinc/77/15/07/568771507.db2.gz ULTSYMOCLIKMHY-OAQYLSRUSA-N 1 2 433.530 1.764 40 0 IDABLO COCCN1C[C@]2(CC[N@@H+](Cc3cccnc3OC)C2)Oc2ccccc2S1(=O)=O ZINC000306140150 568771508 /nfs/dbraw/zinc/77/15/08/568771508.db2.gz ULTSYMOCLIKMHY-OAQYLSRUSA-N 1 2 433.530 1.764 40 0 IDABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000147938053 569255110 /nfs/dbraw/zinc/25/51/10/569255110.db2.gz XWZPPYRAUPROIX-MRXNPFEDSA-N 1 2 430.578 1.964 40 0 IDABLO COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccccc4)C3)C2=O)cc1 ZINC000225395450 291322963 /nfs/dbraw/zinc/32/29/63/291322963.db2.gz LXKYPWJWVJEOPS-RTWAWAEBSA-N 1 2 449.507 1.032 40 0 biogenic,in-vitro IDABLO COc1ccc(C[NH+]2CC3(C2)C(=O)N(Cc2ccccc2F)C(=O)[C@@H]2C[C@@H](O)CN23)cc1 ZINC000225389832 291324454 /nfs/dbraw/zinc/32/44/54/291324454.db2.gz FLLHIZQHVYSVJD-NQIIRXRSSA-N 1 2 439.487 1.393 40 0 biogenic,in-vitro IDABLO COc1cccc(C[NH+]2CC3(C2)C(=O)N(Cc2ccc(C)o2)C(=O)[C@@H]2C[C@@H](O)CN23)c1 ZINC000225440950 291324961 /nfs/dbraw/zinc/32/49/61/291324961.db2.gz RJLIIXDJUGFJRI-XLIONFOSSA-N 1 2 425.485 1.155 40 0 biogenic,in-vitro IDABLO COC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=[NH+][C@@H]1c1ccco1 ZINC000020478134 523944064 /nfs/dbraw/zinc/94/40/64/523944064.db2.gz WEJFDOYYMOPKSQ-RTBURBONSA-N 1 2 440.456 1.142 40 0 IDABLO O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020491945 527255246 /nfs/dbraw/zinc/25/52/46/527255246.db2.gz IWATUNNRAUWAAS-UHFFFAOYSA-N 1 2 445.541 1.792 40 0 IDABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)Cc1ccc(Br)cc1 ZINC000408620731 555989563 /nfs/dbraw/zinc/98/95/63/555989563.db2.gz LDJKUTJMKSJKRC-UHFFFAOYSA-N 1 2 429.340 1.614 40 0 IDABLO O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000408625573 555995967 /nfs/dbraw/zinc/99/59/67/555995967.db2.gz WFTZFSOWBGBWJH-UHFFFAOYSA-N 1 2 435.521 1.465 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(=O)N1CCOCC1 ZINC000408627423 555998389 /nfs/dbraw/zinc/99/83/89/555998389.db2.gz ZNSGTNIJSJEZNH-UHFFFAOYSA-N 1 2 443.569 1.974 40 0 IDABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004848022 556014967 /nfs/dbraw/zinc/01/49/67/556014967.db2.gz IMNJKFFLEHFQIC-HXUWFJFHSA-N 1 2 428.537 1.969 40 0 IDABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004848022 556014970 /nfs/dbraw/zinc/01/49/70/556014970.db2.gz IMNJKFFLEHFQIC-HXUWFJFHSA-N 1 2 428.537 1.969 40 0 IDABLO CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC[NH+]3CCOCC3)c2)CC1 ZINC000408703893 556111276 /nfs/dbraw/zinc/11/12/76/556111276.db2.gz VFRLWMTUXHBWSL-UHFFFAOYSA-N 1 2 429.970 1.823 40 0 IDABLO COc1cc(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc(OC)c1OC ZINC000013143535 556487075 /nfs/dbraw/zinc/48/70/75/556487075.db2.gz BYMHOKKWFMROLW-GOSISDBHSA-N 1 2 430.501 1.910 40 0 IDABLO COc1cc(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc(OC)c1OC ZINC000013143536 556487216 /nfs/dbraw/zinc/48/72/16/556487216.db2.gz BYMHOKKWFMROLW-SFHVURJKSA-N 1 2 430.501 1.910 40 0 IDABLO O=C1C[C@H](c2ccccc2O)Cc2c1cnc1nc(NCC[NH+]3CCOCC3)[nH]c(=O)c12 ZINC000038829521 556620739 /nfs/dbraw/zinc/62/07/39/556620739.db2.gz QKGIALZQXQYOEK-CQSZACIVSA-N 1 2 435.484 1.681 40 0 IDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)c5ccn(C)n5)C4)nc3C2)cc1 ZINC000019290878 556730875 /nfs/dbraw/zinc/73/08/75/556730875.db2.gz GHZMVKJTEUECGB-QGZVFWFLSA-N 1 2 448.527 1.700 40 0 IDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)c5ccn(C)n5)C4)nc3C2)cc1 ZINC000019290878 556730879 /nfs/dbraw/zinc/73/08/79/556730879.db2.gz GHZMVKJTEUECGB-QGZVFWFLSA-N 1 2 448.527 1.700 40 0 IDABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C[C@H]3CCCO3)cc12 ZINC000057640328 556748517 /nfs/dbraw/zinc/74/85/17/556748517.db2.gz KWCPDZKWXUODDC-GOSISDBHSA-N 1 2 426.521 1.695 40 0 IDABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C[C@H]3CCCO3)cc12 ZINC000057640328 556748522 /nfs/dbraw/zinc/74/85/22/556748522.db2.gz KWCPDZKWXUODDC-GOSISDBHSA-N 1 2 426.521 1.695 40 0 IDABLO CS(=O)(=O)c1snnc1[C@@H]1CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000019573276 556813546 /nfs/dbraw/zinc/81/35/46/556813546.db2.gz LYFAVCLYJBZDBV-CYBMUJFWSA-N 1 2 433.559 1.761 40 0 IDABLO CS(=O)(=O)c1snnc1[C@@H]1CCC[N@@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000019573276 556813549 /nfs/dbraw/zinc/81/35/49/556813549.db2.gz LYFAVCLYJBZDBV-CYBMUJFWSA-N 1 2 433.559 1.761 40 0 IDABLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019577819 556815409 /nfs/dbraw/zinc/81/54/09/556815409.db2.gz DUIKWYGURGTCHD-UHFFFAOYSA-N 1 2 425.489 1.901 40 0 IDABLO CN(C)C(=O)[C@H]1C[N@H+](CC(=O)Nc2ccccc2F)C[C@@]12COc1ccccc1C(=O)N2 ZINC000019581093 556819278 /nfs/dbraw/zinc/81/92/78/556819278.db2.gz LXHVXZDXKZHJGP-WAIKUNEKSA-N 1 2 440.475 1.345 40 0 IDABLO CN(C)C(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2F)C[C@@]12COc1ccccc1C(=O)N2 ZINC000019581093 556819281 /nfs/dbraw/zinc/81/92/81/556819281.db2.gz LXHVXZDXKZHJGP-WAIKUNEKSA-N 1 2 440.475 1.345 40 0 IDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(S(=O)(=O)N(C)C)C4)nc3C2)cc1 ZINC000019583651 556820911 /nfs/dbraw/zinc/82/09/11/556820911.db2.gz YFNPVXJCRUDLKM-INIZCTEOSA-N 1 2 447.561 1.345 40 0 IDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(S(=O)(=O)N(C)C)C4)nc3C2)cc1 ZINC000019583651 556820913 /nfs/dbraw/zinc/82/09/13/556820913.db2.gz YFNPVXJCRUDLKM-INIZCTEOSA-N 1 2 447.561 1.345 40 0 IDABLO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000019817945 556920594 /nfs/dbraw/zinc/92/05/94/556920594.db2.gz DLXCTVLIPLEHDG-SJORKVTESA-N 1 2 432.477 1.176 40 0 IDABLO C[NH+]1CCN(C(=O)c2ccc(C3CCN(C(=O)COC[C@H]4CCCO4)CC3)nc2)CC1 ZINC000072374412 556947967 /nfs/dbraw/zinc/94/79/67/556947967.db2.gz TXJAONUBGDCQEB-HXUWFJFHSA-N 1 2 430.549 1.371 40 0 IDABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CC(=O)N(C)C5)CC4)[nH]n3c(=O)c2C1 ZINC000072389793 556959980 /nfs/dbraw/zinc/95/99/80/556959980.db2.gz JWOJERBVPOROMS-MRXNPFEDSA-N 1 2 440.548 1.386 40 0 IDABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CC(=O)N(C)C5)CC4)[nH]n3c(=O)c2C1 ZINC000072389793 556959982 /nfs/dbraw/zinc/95/99/82/556959982.db2.gz JWOJERBVPOROMS-MRXNPFEDSA-N 1 2 440.548 1.386 40 0 IDABLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@]2(CO[C@@H](C(=O)NCc3ncc(C)cn3)C2)C1 ZINC000585102220 557036658 /nfs/dbraw/zinc/03/66/58/557036658.db2.gz QHLFDHSBMKOGID-XXBNENTESA-N 1 2 436.516 1.417 40 0 IDABLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@]2(CO[C@@H](C(=O)NCc3ncc(C)cn3)C2)C1 ZINC000585102220 557036663 /nfs/dbraw/zinc/03/66/63/557036663.db2.gz QHLFDHSBMKOGID-XXBNENTESA-N 1 2 436.516 1.417 40 0 IDABLO Cc1cc2c(cc1Br)[C@@H](O)[C@@](C[NH+]1CCOCC1)(N1CCOCC1)CO2 ZINC000022941730 557053929 /nfs/dbraw/zinc/05/39/29/557053929.db2.gz JMBQVTAGEXASNE-MOPGFXCFSA-N 1 2 427.339 1.587 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144494 557172782 /nfs/dbraw/zinc/17/27/82/557172782.db2.gz SJUCXFVEAOAIRX-RDGATRHJSA-N 1 2 435.524 1.822 40 0 IDABLO CN(C)C(=O)C[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 ZINC000096263952 557191768 /nfs/dbraw/zinc/19/17/68/557191768.db2.gz VVOZOKBIBIAIDX-OALUTQOASA-N 1 2 444.557 1.586 40 0 IDABLO CN(C)C(=O)C[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 ZINC000096263952 557191772 /nfs/dbraw/zinc/19/17/72/557191772.db2.gz VVOZOKBIBIAIDX-OALUTQOASA-N 1 2 444.557 1.586 40 0 IDABLO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc(-c4ccccc4F)[nH]n3)CC[C@@H]2O)CC1 ZINC000585267178 557206241 /nfs/dbraw/zinc/20/62/41/557206241.db2.gz FJQTTWHKRBXCOV-SFTDATJTSA-N 1 2 429.496 1.345 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000218797323 557216673 /nfs/dbraw/zinc/21/66/73/557216673.db2.gz IPWSGPKDRZPEHA-OAQYLSRUSA-N 1 2 445.541 1.232 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000220009522 557276893 /nfs/dbraw/zinc/27/68/93/557276893.db2.gz PICWIEMWZRAXLM-UHFFFAOYSA-N 1 2 431.514 1.955 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](CC)c3nnnn3CCOC)cc2c1 ZINC000013510413 557331903 /nfs/dbraw/zinc/33/19/03/557331903.db2.gz RFEGDELIJOCOHJ-FQEVSTJZSA-N 1 2 444.536 1.895 40 0 IDABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](CC)c3nnnn3CCOC)cc2c1 ZINC000013510413 557331905 /nfs/dbraw/zinc/33/19/05/557331905.db2.gz RFEGDELIJOCOHJ-FQEVSTJZSA-N 1 2 444.536 1.895 40 0 IDABLO CSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000222915812 557402014 /nfs/dbraw/zinc/40/20/14/557402014.db2.gz LWULAUIDTFYIMP-UHFFFAOYSA-N 1 2 427.577 1.590 40 0 IDABLO C[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000223672624 557500361 /nfs/dbraw/zinc/50/03/61/557500361.db2.gz MDODLEJRVJEYIG-UHFFFAOYSA-N 1 2 437.543 1.279 40 0 IDABLO COc1ccc(CC(=O)N2CC[C@H]3CC(=O)N(CC[NH+]4CCOCC4)CC[C@H]3C2)cc1 ZINC000015672920 560230575 /nfs/dbraw/zinc/23/05/75/560230575.db2.gz XRFNRSSSMPGXBI-SFTDATJTSA-N 1 2 429.561 1.657 40 0 biogenic,in-vitro IDABLO O=C(C[C@]1(COc2ccc(Cl)cc2)CN(Cc2c[nH+]c[nH]2)CCO1)N1CCOCC1 ZINC000257216434 568672900 /nfs/dbraw/zinc/67/29/00/568672900.db2.gz CUNBTZLXCKHCPU-OAQYLSRUSA-N 1 2 434.924 1.962 40 0 IDABLO O=C(C[C@]1(COc2ccc(Cl)cc2)CN(Cc2c[nH]c[nH+]2)CCO1)N1CCOCC1 ZINC000257216434 568672903 /nfs/dbraw/zinc/67/29/03/568672903.db2.gz CUNBTZLXCKHCPU-OAQYLSRUSA-N 1 2 434.924 1.962 40 0 IDABLO CN(C(=O)Cn1c2ccc(F)cc2c2c1CCCC2)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257227281 568677538 /nfs/dbraw/zinc/67/75/38/568677538.db2.gz FOMPOUYZJXIRSN-PQNGQFLHSA-N 1 2 442.535 1.441 40 0 IDABLO CN(C(=O)Cn1c2ccc(F)cc2c2c1CCCC2)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257227281 568677543 /nfs/dbraw/zinc/67/75/43/568677543.db2.gz FOMPOUYZJXIRSN-PQNGQFLHSA-N 1 2 442.535 1.441 40 0 IDABLO Cc1cn([C@@H]2CN(C(=O)Cn3c4ccccc4[nH+]c3C(C)C)CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257235962 568681929 /nfs/dbraw/zinc/68/19/29/568681929.db2.gz HAGXICZRMFOSJU-WZONZLPQSA-N 1 2 439.516 1.955 40 0 IDABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257238010 568682734 /nfs/dbraw/zinc/68/27/34/568682734.db2.gz HJEUVTKHTCDEHE-WJPUGNRLSA-N 1 2 448.531 1.954 40 0 IDABLO C[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3[nH]ncc3S(C)(=O)=O)cc2)CC1 ZINC000257282124 568702919 /nfs/dbraw/zinc/70/29/19/568702919.db2.gz OSKDQHCUQSIONI-GOSISDBHSA-N 1 2 446.577 1.341 40 0 IDABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257285800 568704810 /nfs/dbraw/zinc/70/48/10/568704810.db2.gz PIXYEQCPSJRJJP-AUSIDOKSSA-N 1 2 439.516 1.757 40 0 IDABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1C[C@@H](O)[C@H](n2ccc3c2nccc3C(N)=O)C1 ZINC000257301341 568711725 /nfs/dbraw/zinc/71/17/25/568711725.db2.gz RYBLSFXAWPQWTC-WOJBJXKFSA-N 1 2 432.484 1.628 40 0 IDABLO Cc1cn([C@@H]2CN(C(=O)Cn3c(CC(C)C)[nH+]c4ccccc43)C[C@H]2O)c(=O)[nH]c1=O ZINC000257321537 568720820 /nfs/dbraw/zinc/72/08/20/568720820.db2.gz WCCALOZMGRGCTP-QZTJIDSGSA-N 1 2 425.489 1.250 40 0 IDABLO CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCCCn3cc[nH+]c3)c3ccccn32)C1 ZINC000306124824 568763415 /nfs/dbraw/zinc/76/34/15/568763415.db2.gz CAMDIRDYHHCDQH-MRXNPFEDSA-N 1 2 430.534 1.490 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000247835757 569206222 /nfs/dbraw/zinc/20/62/22/569206222.db2.gz MHVHYRDHICVICQ-IDVKNYFZSA-N 1 2 441.415 1.013 40 0 IDABLO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000247835757 569206224 /nfs/dbraw/zinc/20/62/24/569206224.db2.gz MHVHYRDHICVICQ-IDVKNYFZSA-N 1 2 441.415 1.013 40 0 IDABLO CC(=O)N1CCC([N@@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)NCCO)C2)CC1 ZINC000019696220 569229637 /nfs/dbraw/zinc/22/96/37/569229637.db2.gz UFLFAFNEEQNYED-QGZVFWFLSA-N 1 2 432.546 1.403 40 0 IDABLO CC(=O)N1CCC([N@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)NCCO)C2)CC1 ZINC000019696220 569229638 /nfs/dbraw/zinc/22/96/38/569229638.db2.gz UFLFAFNEEQNYED-QGZVFWFLSA-N 1 2 432.546 1.403 40 0 IDABLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@@H](c3ncc(C(N)=O)c(C)n3)C1)CC2 ZINC000019758223 569237374 /nfs/dbraw/zinc/23/73/74/569237374.db2.gz CQQPEVLEZAEQIJ-MRXNPFEDSA-N 1 2 439.516 1.275 40 0 IDABLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@@H](c3ncc(C(N)=O)c(C)n3)C1)CC2 ZINC000019758223 569237375 /nfs/dbraw/zinc/23/73/75/569237375.db2.gz CQQPEVLEZAEQIJ-MRXNPFEDSA-N 1 2 439.516 1.275 40 0 IDABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCC[N@@H+]2CC(=O)N2CCNC2=O)n1 ZINC000019767184 569239724 /nfs/dbraw/zinc/23/97/24/569239724.db2.gz GDETUIYNXDHLDD-SFHVURJKSA-N 1 2 428.537 1.926 40 0 IDABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCC[N@H+]2CC(=O)N2CCNC2=O)n1 ZINC000019767184 569239725 /nfs/dbraw/zinc/23/97/25/569239725.db2.gz GDETUIYNXDHLDD-SFHVURJKSA-N 1 2 428.537 1.926 40 0 IDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(S(=O)(=O)Cc1ccccc1)CC2 ZINC000096254924 193945148 /nfs/dbraw/zinc/94/51/48/193945148.db2.gz SCNYEUDOKZQXNO-UHFFFAOYSA-N 1 2 431.562 1.310 40 0 IDABLO COc1ccc(-c2nc(N3CCN(S(=O)(=O)N(C)C)CC3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221343 523221910 /nfs/dbraw/zinc/22/19/10/523221910.db2.gz KWQVLSDYBYIJMP-UHFFFAOYSA-N 1 2 443.533 1.471 40 0 IDABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@H]3C(=O)NCC[N@H+]3C)cc2n1 ZINC000012230591 523780676 /nfs/dbraw/zinc/78/06/76/523780676.db2.gz DVHRGPYCINQRHW-CABCVRRESA-N 1 2 438.454 1.794 40 0 IDABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C[C@H]3C(=O)NCC[N@@H+]3C)cc2n1 ZINC000012230591 523780680 /nfs/dbraw/zinc/78/06/80/523780680.db2.gz DVHRGPYCINQRHW-CABCVRRESA-N 1 2 438.454 1.794 40 0 IDABLO COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCOCC3)nc(N)c21 ZINC000020635788 524240502 /nfs/dbraw/zinc/24/05/02/524240502.db2.gz BESCMFDZTPDWST-NSHDSACASA-N 1 2 432.868 1.622 40 0 IDABLO CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000072335919 525281192 /nfs/dbraw/zinc/28/11/92/525281192.db2.gz LVYZMQOOQGWHTO-UHFFFAOYSA-N 1 2 432.550 1.473 40 0 IDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000020674119 527556808 /nfs/dbraw/zinc/55/68/08/527556808.db2.gz JAXTVZGJABUQAE-GFCCVEGCSA-N 1 2 436.394 1.979 40 0 IDABLO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCOCC3)C2)cc1C ZINC000408592823 555954336 /nfs/dbraw/zinc/95/43/36/555954336.db2.gz LZGGUFQHBZPQKR-SFHVURJKSA-N 1 2 439.578 1.243 40 0 IDABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)c2cccc(C)c2)cc1 ZINC000408623087 555991929 /nfs/dbraw/zinc/99/19/29/555991929.db2.gz CSGSXBQZRHQCJW-UHFFFAOYSA-N 1 2 431.558 1.947 40 0 IDABLO COc1cccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408625506 555995879 /nfs/dbraw/zinc/99/58/79/555995879.db2.gz VKCHVUKCYRHWDX-UHFFFAOYSA-N 1 2 447.557 1.647 40 0 IDABLO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036312366 556302095 /nfs/dbraw/zinc/30/20/95/556302095.db2.gz SMHJYMCIPNEPTG-UHFFFAOYSA-N 1 2 437.587 1.834 40 0 IDABLO COc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581965 556528411 /nfs/dbraw/zinc/52/84/11/556528411.db2.gz COYVBIINSAOTAE-UHFFFAOYSA-N 1 2 447.557 1.278 40 0 IDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3COc4ccccc4O3)c2)CC1 ZINC000036287590 556596367 /nfs/dbraw/zinc/59/63/67/556596367.db2.gz FOMRSSLJYVOXBX-KRWDZBQOSA-N 1 2 431.514 1.193 40 0 IDABLO CC1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)CC1 ZINC000019496938 556769401 /nfs/dbraw/zinc/76/94/01/556769401.db2.gz AHGRGDYZHGKXMB-LJQANCHMSA-N 1 2 439.578 1.476 40 0 IDABLO COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCC[NH+]4CCOCC4)C3)c2N)cc1 ZINC000019558762 556800668 /nfs/dbraw/zinc/80/06/68/556800668.db2.gz OPICFRFPQNWBSU-QGZVFWFLSA-N 1 2 441.532 1.607 40 0 IDABLO C[NH+]1CCN(C(=O)[C@H]2[C@@H](C(=O)NCc3ccncc3)[C@@]2(C)C(=O)c2ccccc2N)CC1 ZINC000019576058 556814936 /nfs/dbraw/zinc/81/49/36/556814936.db2.gz ROAQMXOHVWTSGT-DCLXLUIPSA-N 1 2 435.528 1.189 40 0 IDABLO C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)CN3CCCCCC3=O)nc2)CC1 ZINC000019708737 556870070 /nfs/dbraw/zinc/87/00/70/556870070.db2.gz XAWXYWPNMGCRFX-FQEVSTJZSA-N 1 2 427.549 1.535 40 0 IDABLO CC[C@H](C(=O)N1CCc2c(nc(C3CCN(C(C)=O)CC3)nc2NC)C1)[NH+]1CCOCC1 ZINC000019710692 556874303 /nfs/dbraw/zinc/87/43/03/556874303.db2.gz CPHRBHOVWQKQAK-HXUWFJFHSA-N 1 2 444.580 1.240 40 0 IDABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5CC(=O)N(C)C5)CC4)[nH]n3c(=O)c2C1 ZINC000072389794 556959997 /nfs/dbraw/zinc/95/99/97/556959997.db2.gz JWOJERBVPOROMS-INIZCTEOSA-N 1 2 440.548 1.386 40 0 IDABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5CC(=O)N(C)C5)CC4)[nH]n3c(=O)c2C1 ZINC000072389794 556959999 /nfs/dbraw/zinc/95/99/99/556959999.db2.gz JWOJERBVPOROMS-INIZCTEOSA-N 1 2 440.548 1.386 40 0 IDABLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@]2(CO[C@H](C(=O)NCc3ncc(C)cn3)C2)C1 ZINC000585102215 557036721 /nfs/dbraw/zinc/03/67/21/557036721.db2.gz QHLFDHSBMKOGID-CVDCTZTESA-N 1 2 436.516 1.417 40 0 IDABLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@]2(CO[C@H](C(=O)NCc3ncc(C)cn3)C2)C1 ZINC000585102215 557036724 /nfs/dbraw/zinc/03/67/24/557036724.db2.gz QHLFDHSBMKOGID-CVDCTZTESA-N 1 2 436.516 1.417 40 0 IDABLO Cc1cc2c(c(Br)c1C)OC[C@](C[NH+]1CCOCC1)(N1CCOCC1)[C@@H]2O ZINC000022942747 557054289 /nfs/dbraw/zinc/05/42/89/557054289.db2.gz IKDQRRJWCKHGHC-UXHICEINSA-N 1 2 441.366 1.895 40 0 IDABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(S(=O)(=O)c1ccccc1F)CC2 ZINC000096083911 557168974 /nfs/dbraw/zinc/16/89/74/557168974.db2.gz QNIIUCMHVYKYKG-UHFFFAOYSA-N 1 2 435.525 1.308 40 0 IDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CCN1Cc1ccccc1 ZINC000585261900 557197610 /nfs/dbraw/zinc/19/76/10/557197610.db2.gz NKGOAZVFGPUCCU-QHCPKHFHSA-N 1 2 436.556 1.591 40 0 IDABLO COc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1C ZINC000219141510 557227691 /nfs/dbraw/zinc/22/76/91/557227691.db2.gz GCQCSUGPWFFQJF-UHFFFAOYSA-N 1 2 447.557 1.647 40 0 IDABLO O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCC[NH+]1CCOCC1 ZINC000219142558 557227936 /nfs/dbraw/zinc/22/79/36/557227936.db2.gz COILYLJYSDIQOJ-UHFFFAOYSA-N 1 2 427.523 1.531 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000022795490 557271205 /nfs/dbraw/zinc/27/12/05/557271205.db2.gz UANLORQICPQPFV-UHFFFAOYSA-N 1 2 443.569 1.974 40 0 IDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3nc(-c4cccs4)no3)c2)CC1 ZINC000219974080 557273626 /nfs/dbraw/zinc/27/36/26/557273626.db2.gz MWHALAHYJRABFB-UHFFFAOYSA-N 1 2 447.542 1.664 40 0 IDABLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn21 ZINC000107189370 557335970 /nfs/dbraw/zinc/33/59/70/557335970.db2.gz BYCVBLUNALLTLC-NRFANRHFSA-N 1 2 442.527 1.938 40 0 IDABLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn21 ZINC000107189370 557335972 /nfs/dbraw/zinc/33/59/72/557335972.db2.gz BYCVBLUNALLTLC-NRFANRHFSA-N 1 2 442.527 1.938 40 0 IDABLO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCC[NH+]2CCOCC2)s1 ZINC000222970543 557409836 /nfs/dbraw/zinc/40/98/36/557409836.db2.gz PAYWGAMSCIRZRK-UHFFFAOYSA-N 1 2 425.536 1.099 40 0 IDABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)=N2)cc1 ZINC000014607001 557447327 /nfs/dbraw/zinc/44/73/27/557447327.db2.gz ZNSFAHBPRQZHBD-IBGZPJMESA-N 1 2 449.511 1.725 40 0 IDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 ZINC000014607409 557447729 /nfs/dbraw/zinc/44/77/29/557447729.db2.gz MXEGWLMTZZTNRV-SUMWQHHRSA-N 1 2 446.456 1.167 40 0 IDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)C2=O)C1 ZINC000014607409 557447732 /nfs/dbraw/zinc/44/77/32/557447732.db2.gz MXEGWLMTZZTNRV-SUMWQHHRSA-N 1 2 446.456 1.167 40 0 IDABLO CCn1ncc(C[NH+]2CCN(C(=O)c3c(I)cnn3C)CC2)c1C ZINC000019635333 557522428 /nfs/dbraw/zinc/52/24/28/557522428.db2.gz QJDDUEZQVHLHLV-UHFFFAOYSA-N 1 2 442.305 1.508 40 0 IDABLO CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000224268861 557583198 /nfs/dbraw/zinc/58/31/98/557583198.db2.gz NTUXQSVUKZXQAZ-UHFFFAOYSA-N 1 2 428.514 1.991 40 0 IDABLO COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCC[NH+]1CCOCC1 ZINC000225211112 557700869 /nfs/dbraw/zinc/70/08/69/557700869.db2.gz YBUWHCFIBSVJRM-UHFFFAOYSA-N 1 2 428.580 1.098 40 0 IDABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2)CC1 ZINC000225273011 557707745 /nfs/dbraw/zinc/70/77/45/557707745.db2.gz FYIUTCWUHSZREA-IBGZPJMESA-N 1 2 445.541 1.334 40 0 IDABLO Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225404200 557718870 /nfs/dbraw/zinc/71/88/70/557718870.db2.gz BTIBRYVOVRKLLC-UHFFFAOYSA-N 1 2 431.514 1.955 40 0 IDABLO COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000225558758 557742355 /nfs/dbraw/zinc/74/23/55/557742355.db2.gz SPPDZAAPKLOADC-UHFFFAOYSA-N 1 2 444.513 1.826 40 0 IDABLO C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225903749 557789930 /nfs/dbraw/zinc/78/99/30/557789930.db2.gz FZZNXZXNKOTHEY-QGZVFWFLSA-N 1 2 449.625 1.311 40 0 IDABLO CN([C@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1)S(C)(=O)=O ZINC000260772667 557854975 /nfs/dbraw/zinc/85/49/75/557854975.db2.gz ZZIPKQTWDYZEPO-NRFANRHFSA-N 1 2 445.541 1.692 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]2O ZINC000257238568 568683097 /nfs/dbraw/zinc/68/30/97/568683097.db2.gz HLPRZOZIZZOONJ-RDJZCZTQSA-N 1 2 435.468 1.505 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]2O ZINC000257238568 568683101 /nfs/dbraw/zinc/68/31/01/568683101.db2.gz HLPRZOZIZZOONJ-RDJZCZTQSA-N 1 2 435.468 1.505 40 0 IDABLO Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCCN(C(=O)CCNc2ncnc3ccccc32)CC1 ZINC000257248682 568687764 /nfs/dbraw/zinc/68/77/64/568687764.db2.gz JETHNQSJVSNOFL-QFIPXVFZSA-N 1 2 434.504 1.773 40 0 IDABLO Nc1nc2c(c(N)[nH+]1)C[C@@]1(CCCN(C(=O)CCNc3ncnc4ccccc43)CC1)O2 ZINC000257248682 568687768 /nfs/dbraw/zinc/68/77/68/568687768.db2.gz JETHNQSJVSNOFL-QFIPXVFZSA-N 1 2 434.504 1.773 40 0 IDABLO CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257253021 568689801 /nfs/dbraw/zinc/68/98/01/568689801.db2.gz JXGOIJGPAOXJIF-JBYIUTFZSA-N 1 2 447.967 1.332 40 0 IDABLO CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257253021 568689804 /nfs/dbraw/zinc/68/98/04/568689804.db2.gz JXGOIJGPAOXJIF-JBYIUTFZSA-N 1 2 447.967 1.332 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]2O ZINC000257255214 568690901 /nfs/dbraw/zinc/69/09/01/568690901.db2.gz KGOPLLLMUBSXJJ-RDJZCZTQSA-N 1 2 435.468 1.505 40 0 IDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]2O ZINC000257255214 568690903 /nfs/dbraw/zinc/69/09/03/568690903.db2.gz KGOPLLLMUBSXJJ-RDJZCZTQSA-N 1 2 435.468 1.505 40 0 IDABLO CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)NCC[NH+]2CCOCC2)[C@@H]1O ZINC000257258482 568692431 /nfs/dbraw/zinc/69/24/31/568692431.db2.gz KUEYJKBPHLPBGL-MIULDMEKSA-N 1 2 432.517 1.046 40 0 IDABLO CC(=O)N[C@H]1CC2(CCN(C(=O)COc3cc(C)[nH+]c4ccccc43)CC2)OC[C@]1(C)O ZINC000257286263 568705137 /nfs/dbraw/zinc/70/51/37/568705137.db2.gz PKYHOEAWXCHQFH-GMAHTHKFSA-N 1 2 441.528 1.959 40 0 IDABLO NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000257337891 568727832 /nfs/dbraw/zinc/72/78/32/568727832.db2.gz YUXVREZGPBREGL-DEOSSOPVSA-N 1 2 438.528 1.452 40 0 IDABLO Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccnn4C)C[C@@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306138808 568770682 /nfs/dbraw/zinc/77/06/82/568770682.db2.gz SHYBQIBLPFIMKM-IIBYNOLFSA-N 1 2 439.545 1.577 40 0 IDABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)c4ccnn4C)C[C@@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306138807 568770761 /nfs/dbraw/zinc/77/07/61/568770761.db2.gz SHYBQIBLPFIMKM-IERDGZPVSA-N 1 2 439.545 1.577 40 0 IDABLO O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000101434538 568836270 /nfs/dbraw/zinc/83/62/70/568836270.db2.gz FVDYDJQIXZKZKC-PUZFROQSSA-N 1 2 425.533 1.742 40 0 IDABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCC[N@@H+]2CC(=O)N2CCNC2=O)n1 ZINC000019767240 569239733 /nfs/dbraw/zinc/23/97/33/569239733.db2.gz ADODIBFZOPUOBY-IBGZPJMESA-N 1 2 436.516 1.794 40 0 IDABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCC[N@H+]2CC(=O)N2CCNC2=O)n1 ZINC000019767240 569239734 /nfs/dbraw/zinc/23/97/34/569239734.db2.gz ADODIBFZOPUOBY-IBGZPJMESA-N 1 2 436.516 1.794 40 0 IDABLO COc1cccc(C[NH+]2CC3(C2)C(=O)N(Cc2ccccc2F)C(=O)[C@@H]2C[C@@H](O)CN23)c1 ZINC000225390616 291324972 /nfs/dbraw/zinc/32/49/72/291324972.db2.gz DBGWFTWHHHWNBQ-NQIIRXRSSA-N 1 2 439.487 1.393 40 0 biogenic,in-vitro IDABLO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccccc4F)C3)C2=O)cc1 ZINC000225387981 291324228 /nfs/dbraw/zinc/32/42/28/291324228.db2.gz BNOCQEAGMAITKQ-NQIIRXRSSA-N 1 2 439.487 1.393 40 0 biogenic,in-vitro IDABLO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4ccc(Cl)cc4)C3)C2=O)o1 ZINC000225397091 291326298 /nfs/dbraw/zinc/32/62/98/291326298.db2.gz ILZJVCHVPPGDKV-MJGOQNOKSA-N 1 2 429.904 1.800 40 0 biogenic,in-vitro IDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225440115 291328810 /nfs/dbraw/zinc/32/88/10/291328810.db2.gz YPYCYDULNRHEHG-UXHICEINSA-N 1 2 425.916 1.899 40 0 biogenic,in-vitro IDABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccs3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225389212 291328996 /nfs/dbraw/zinc/32/89/96/291328996.db2.gz WQGGOPSXNPBNOO-AEFFLSMTSA-N 1 2 431.945 1.960 40 0 biogenic,in-vitro IDABLO CCc1ccc(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408608511 193976282 /nfs/dbraw/zinc/97/62/82/193976282.db2.gz NTGRQHADYSNZHC-UHFFFAOYSA-N 1 2 431.558 1.893 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000408614986 193981190 /nfs/dbraw/zinc/98/11/90/193981190.db2.gz KLMQJPOSZBXPGJ-SFHVURJKSA-N 1 2 436.512 1.740 40 0 IDABLO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CC[N@H+](CC(=O)N1CCC(C)CC1)C2 ZINC000072345734 522678410 /nfs/dbraw/zinc/67/84/10/522678410.db2.gz KTTSDQNMEWGOKQ-UHFFFAOYSA-N 1 2 428.581 1.861 40 0 IDABLO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CC[N@@H+](CC(=O)N1CCC(C)CC1)C2 ZINC000072345734 522678437 /nfs/dbraw/zinc/67/84/37/522678437.db2.gz KTTSDQNMEWGOKQ-UHFFFAOYSA-N 1 2 428.581 1.861 40 0 IDABLO COc1cccc([C@@H]2CN(C(=O)C[N@@H+]3CCCN(C(C)=O)CC3)C[C@H]2c2csnn2)c1 ZINC000012163139 524120963 /nfs/dbraw/zinc/12/09/63/524120963.db2.gz YUOMXKWXBDMDEI-VQTJNVASSA-N 1 2 443.573 1.811 40 0 IDABLO COc1cccc([C@@H]2CN(C(=O)C[N@H+]3CCCN(C(C)=O)CC3)C[C@H]2c2csnn2)c1 ZINC000012163139 524120966 /nfs/dbraw/zinc/12/09/66/524120966.db2.gz YUOMXKWXBDMDEI-VQTJNVASSA-N 1 2 443.573 1.811 40 0 IDABLO Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)cn1 ZINC000020528478 527204129 /nfs/dbraw/zinc/20/41/29/527204129.db2.gz AVPWDKGGZXBPCL-GOSISDBHSA-N 1 2 449.552 1.304 40 0 IDABLO O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCN(c3ccccc3)CC2)[C@H]1O ZINC000012489784 527513671 /nfs/dbraw/zinc/51/36/71/527513671.db2.gz SIOOSZRPIRLATL-CSEOROSGSA-N 1 2 430.549 1.294 40 0 biogenic,in-vitro IDABLO Nc1nc(N2CCOCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000020674122 527556178 /nfs/dbraw/zinc/55/61/78/527556178.db2.gz JAXTVZGJABUQAE-LBPRGKRZSA-N 1 2 436.394 1.979 40 0 IDABLO COCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C ZINC000010368773 555711452 /nfs/dbraw/zinc/71/14/52/555711452.db2.gz CPUOVZJQGCMEGM-UHFFFAOYSA-N 1 2 434.859 1.580 40 0 IDABLO CCOCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C ZINC000010368781 555711479 /nfs/dbraw/zinc/71/14/79/555711479.db2.gz XIIWNYYALCAOLS-UHFFFAOYSA-N 1 2 448.886 1.970 40 0 IDABLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000408587038 555939807 /nfs/dbraw/zinc/93/98/07/555939807.db2.gz BBVWKXMPQYTOJA-HNNXBMFYSA-N 1 2 445.969 1.198 40 0 IDABLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408592166 555953213 /nfs/dbraw/zinc/95/32/13/555953213.db2.gz KJNOUXPEEHNAFK-FQEVSTJZSA-N 1 2 431.558 1.689 40 0 IDABLO Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000408597792 555955994 /nfs/dbraw/zinc/95/59/94/555955994.db2.gz YGNAXASPRSDIQI-OAQYLSRUSA-N 1 2 431.558 1.333 40 0 IDABLO O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCCn1cc[nH+]c1 ZINC000408596266 555963200 /nfs/dbraw/zinc/96/32/00/555963200.db2.gz UAAXNJYHQPNKCN-UHFFFAOYSA-N 1 2 426.926 1.906 40 0 IDABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004848023 556014854 /nfs/dbraw/zinc/01/48/54/556014854.db2.gz IMNJKFFLEHFQIC-FQEVSTJZSA-N 1 2 428.537 1.969 40 0 IDABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004848023 556014855 /nfs/dbraw/zinc/01/48/55/556014855.db2.gz IMNJKFFLEHFQIC-FQEVSTJZSA-N 1 2 428.537 1.969 40 0 IDABLO COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000014867833 556451700 /nfs/dbraw/zinc/45/17/00/556451700.db2.gz YGWYEVZTUJSWOR-UHFFFAOYSA-N 1 2 425.532 1.432 40 0 IDABLO O=C(CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCC[NH+]1CCOCC1 ZINC000031794897 556526430 /nfs/dbraw/zinc/52/64/30/556526430.db2.gz OJNPNAIHLSWBJQ-UHFFFAOYSA-N 1 2 436.512 1.321 40 0 IDABLO COc1ccc(N(CCCC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000013678206 556555460 /nfs/dbraw/zinc/55/54/60/556555460.db2.gz FRXXXCYUIJZENE-UHFFFAOYSA-N 1 2 433.958 1.343 40 0 IDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3COc4ccccc4O3)c2)CC1 ZINC000036287587 556596236 /nfs/dbraw/zinc/59/62/36/556596236.db2.gz FOMRSSLJYVOXBX-QGZVFWFLSA-N 1 2 431.514 1.193 40 0 IDABLO O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000016479128 556611155 /nfs/dbraw/zinc/61/11/55/556611155.db2.gz GSWWHFSPEPTILU-UHFFFAOYSA-N 1 2 431.558 1.368 40 0 IDABLO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c(OC)c1 ZINC000044900792 556677440 /nfs/dbraw/zinc/67/74/40/556677440.db2.gz BRGKKSOUQSQCTI-UHFFFAOYSA-N 1 2 444.513 1.972 40 0 IDABLO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCN(S(=O)(=O)N4CCC(C)CC4)CC3)c2c1 ZINC000019496931 556769538 /nfs/dbraw/zinc/76/95/38/556769538.db2.gz LGUREZRHRFECEL-OAQYLSRUSA-N 1 2 436.578 1.804 40 0 IDABLO C[C@H]1C[NH+](CC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)COCCC(=O)N3)C[C@H](C)O1 ZINC000019497440 556769996 /nfs/dbraw/zinc/76/99/96/556769996.db2.gz XIMKJQQUVBUZAU-XVIDLNRXSA-N 1 2 437.487 1.275 40 0 IDABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCc3nc(N)c(C(=O)N4CCOCC4)cc3C1)CO2 ZINC000019701091 556861309 /nfs/dbraw/zinc/86/13/09/556861309.db2.gz RUMDGEJIGAIMNA-UHFFFAOYSA-N 1 2 436.512 1.979 40 0 IDABLO COc1ccc2c(c1)C=C(C[N@H+]1CCc3nc(N)c(C(=O)N4CCOCC4)cc3C1)CO2 ZINC000019701091 556861313 /nfs/dbraw/zinc/86/13/13/556861313.db2.gz RUMDGEJIGAIMNA-UHFFFAOYSA-N 1 2 436.512 1.979 40 0 IDABLO C[NH+]1CCN(C(=O)c2ccc([C@H]3CCCN(C(=O)CN4CCCCCC4=O)C3)nc2)CC1 ZINC000019705984 556863665 /nfs/dbraw/zinc/86/36/65/556863665.db2.gz HXXOBASAGQTNSR-FQEVSTJZSA-N 1 2 441.576 1.578 40 0 IDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000072327615 556904487 /nfs/dbraw/zinc/90/44/87/556904487.db2.gz UGKSZTJAZAHFGG-UZUQRXQVSA-N 1 2 429.517 1.240 40 0 IDABLO CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000072335843 556908791 /nfs/dbraw/zinc/90/87/91/556908791.db2.gz MYEJDPOTHRMWIJ-UHFFFAOYSA-N 1 2 426.502 1.545 40 0 IDABLO CS(=O)(=O)c1snnc1C1CC[NH+](Cc2cn(CC(N)=O)c3ccccc23)CC1 ZINC000072392482 556963492 /nfs/dbraw/zinc/96/34/92/556963492.db2.gz SIINHSMJZQTFRF-UHFFFAOYSA-N 1 2 433.559 1.761 40 0 IDABLO NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)C[NH2+][C@H]2C=CS(=O)(=O)C2)CC1 ZINC000072397040 556969942 /nfs/dbraw/zinc/96/99/42/556969942.db2.gz XLMSTZNZSJVTLO-INIZCTEOSA-N 1 2 446.504 1.079 40 0 IDABLO CN(Cc1ccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000020048887 556974398 /nfs/dbraw/zinc/97/43/98/556974398.db2.gz UMNGFGSGLMHPGA-UHFFFAOYSA-N 1 2 428.514 1.959 40 0 IDABLO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)NCC[NH+]1CCOCC1 ZINC000219142067 557227888 /nfs/dbraw/zinc/22/78/88/557227888.db2.gz QDZLWAVCFIJFAR-UHFFFAOYSA-N 1 2 439.484 1.609 40 0 IDABLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220704760 557308733 /nfs/dbraw/zinc/30/87/33/557308733.db2.gz BYPVCACOHBRRAT-INIZCTEOSA-N 1 2 438.377 1.986 40 0 IDABLO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc2c(c1)OCCO2 ZINC000104789766 557328571 /nfs/dbraw/zinc/32/85/71/557328571.db2.gz GAPBBOIZOZVFTG-INIZCTEOSA-N 1 2 445.541 1.885 40 0 IDABLO COCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000019824667 557508509 /nfs/dbraw/zinc/50/85/09/557508509.db2.gz IHYKPVJZRSUKKE-UHFFFAOYSA-N 1 2 434.562 1.192 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225273308 557707716 /nfs/dbraw/zinc/70/77/16/557707716.db2.gz NCQPOEWSACXSBT-KRWDZBQOSA-N 1 2 445.541 1.501 40 0 IDABLO C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225903706 557790025 /nfs/dbraw/zinc/79/00/25/557790025.db2.gz JNYIQGHGWGMQQM-QGZVFWFLSA-N 1 2 449.625 1.168 40 0 IDABLO O=C(N[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000257211509 568670410 /nfs/dbraw/zinc/67/04/10/568670410.db2.gz BZCWBKDKHCGMKO-XNRPHZJLSA-N 1 2 425.411 1.025 40 0 IDABLO O=C(N[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000257211509 568670414 /nfs/dbraw/zinc/67/04/14/568670414.db2.gz BZCWBKDKHCGMKO-XNRPHZJLSA-N 1 2 425.411 1.025 40 0 IDABLO Cc1cc2[nH+]c(CCC(=O)N3CC[C@@](C)(O)[C@H](n4ccc(=O)[nH]c4=O)C3)[nH]c2c(C)c1 ZINC000257279339 568702012 /nfs/dbraw/zinc/70/20/12/568702012.db2.gz OGDSGGNWRWUMFE-OPAMFIHVSA-N 1 2 425.489 1.599 40 0 IDABLO O=C(C[C@H]1CCCN(C(=O)c2ccnc(N3CCOCC3)c2)C1)NCCn1cc[nH+]c1 ZINC000257280148 568702118 /nfs/dbraw/zinc/70/21/18/568702118.db2.gz OJRQCCYTJPGQAF-GOSISDBHSA-N 1 2 426.521 1.173 40 0 IDABLO Cc1[nH]c2ccc(CCC(=O)N[C@H]3CCC[C@H](n4cnc5c4ncnc5N)[C@H]3O)cc2[nH+]1 ZINC000257343992 568730143 /nfs/dbraw/zinc/73/01/43/568730143.db2.gz ZVHFWAAPVOMJKE-KNBMTAEXSA-N 1 2 434.504 1.797 40 0 IDABLO Cc1[nH]c2cc(CCC(=O)N[C@H]3CCC[C@H](n4cnc5c4ncnc5N)[C@H]3O)ccc2[nH+]1 ZINC000257343992 568730144 /nfs/dbraw/zinc/73/01/44/568730144.db2.gz ZVHFWAAPVOMJKE-KNBMTAEXSA-N 1 2 434.504 1.797 40 0 IDABLO Cn1cc(C[N@@H+]2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)cn1 ZINC000306124754 568763479 /nfs/dbraw/zinc/76/34/79/568763479.db2.gz BYLGXIMLFWVFCW-OALUTQOASA-N 1 2 425.514 1.651 40 0 IDABLO Cn1cc(C[N@H+]2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)cn1 ZINC000306124754 568763481 /nfs/dbraw/zinc/76/34/81/568763481.db2.gz BYLGXIMLFWVFCW-OALUTQOASA-N 1 2 425.514 1.651 40 0 IDABLO Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccn(C)n4)C[C@H]3c3cn(C)c[nH+]3)C2=O)cs1 ZINC000306131099 568766510 /nfs/dbraw/zinc/76/65/10/568766510.db2.gz JWPMBDAISMJLJF-HRAATJIYSA-N 1 2 439.545 1.577 40 0 IDABLO Cc1ccc(S(=O)(=O)N2CC3(C2)CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C[NH2+]3)cc1 ZINC000306145705 569450870 /nfs/dbraw/zinc/45/08/70/569450870.db2.gz OFYSWRZEGANVPJ-NRFANRHFSA-N 1 2 437.562 1.738 40 0 IDABLO