smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020566840 518706284 /nfs/dbraw/zinc/70/62/84/518706284.db2.gz RVFVSGVDHHYGIE-UNKHORCTSA-N 1 0 435.480 1.859 50 10 IDCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022734421 523996697 /nfs/dbraw/zinc/99/66/97/523996697.db2.gz CHSHAEQREYWBIS-HSZRJFAPSA-N 1 0 441.620 1.923 50 10 IDCARO COc1ccc(N2CC[NH+](CCCNC(=O)CN3C(=O)COc4ccccc43)CC2)cc1 ZINC000008813978 536696710 /nfs/dbraw/zinc/69/67/10/536696710.db2.gz SRACJKIINFXEIF-UHFFFAOYSA-N 1 0 438.528 1.749 50 10 IDCARO O=C1C(=CNCCN2CC[NH2+]CC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000019367058 556746417 /nfs/dbraw/zinc/74/64/17/556746417.db2.gz YIPWIESBJZHUOP-UHFFFAOYSA-N 1 0 435.553 1.730 50 10 IDCARO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCCN(c4nc(C)ns4)CC3)CC2)cc1 ZINC000095466761 569371031 /nfs/dbraw/zinc/37/10/31/569371031.db2.gz OKDZVRGBKAMJHH-FQEVSTJZSA-N 1 0 446.621 1.550 50 10 IDCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3nccs3)N3CC[NH+](C)CC3)ccc21 ZINC000022735318 523919443 /nfs/dbraw/zinc/91/94/43/523919443.db2.gz PGAJNMLFXFEPLB-LJQANCHMSA-N 1 0 442.589 1.569 50 10 IDCARO CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022734418 523998608 /nfs/dbraw/zinc/99/86/08/523998608.db2.gz CHSHAEQREYWBIS-QHCPKHFHSA-N 1 0 441.620 1.923 50 10 IDCARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c(O)c1 ZINC000012244792 524039891 /nfs/dbraw/zinc/03/98/91/524039891.db2.gz WHWZXGXYNLNGMK-UTKZUKDTSA-N 1 0 443.548 1.900 50 10 IDCARO COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022809685 524582672 /nfs/dbraw/zinc/58/26/72/524582672.db2.gz RJYUROOHOLSBGY-OAQYLSRUSA-N 1 0 439.560 1.805 50 10 IDCARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)no1 ZINC000022735005 525108073 /nfs/dbraw/zinc/10/80/73/525108073.db2.gz HMOBQQGNIJACTG-FQEVSTJZSA-N 1 0 440.548 1.409 50 10 IDCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)CC1 ZINC000033697170 556622376 /nfs/dbraw/zinc/62/23/76/556622376.db2.gz YIGSEKVGJRAQBF-RVDMUPIBSA-N 1 0 429.571 1.976 50 10 IDCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000023857698 557376665 /nfs/dbraw/zinc/37/66/65/557376665.db2.gz VXJOITWKFHKOGC-JOCHJYFZSA-N 1 0 439.535 1.861 50 10 IDCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022594222 522242730 /nfs/dbraw/zinc/24/27/30/522242730.db2.gz CKKQZJCPICSLKU-HXUWFJFHSA-N 1 0 429.590 1.535 50 10 IDCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CC[NH+](C)CC2)cc1 ZINC000022666129 522249437 /nfs/dbraw/zinc/24/94/37/522249437.db2.gz JAUYYHHMPMPLHQ-FQEVSTJZSA-N 1 0 447.561 1.928 50 10 IDCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734953 523916679 /nfs/dbraw/zinc/91/66/79/523916679.db2.gz OYUWEDXKPYYURA-DEOSSOPVSA-N 1 0 449.599 1.790 50 10 IDCARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000013572475 556522837 /nfs/dbraw/zinc/52/28/37/556522837.db2.gz DCDSSPOKSXBREU-AYFLJRIOSA-N 1 0 435.480 1.861 50 10 IDCARO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000067604063 556843581 /nfs/dbraw/zinc/84/35/81/556843581.db2.gz KLVIQHQZRZFAIR-UHFFFAOYSA-N 1 0 445.589 1.611 50 10 IDCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022594383 522242667 /nfs/dbraw/zinc/24/26/67/522242667.db2.gz JVFSDAKNQTYZEK-OAQYLSRUSA-N 1 0 427.524 1.935 50 10 IDCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022735023 523916469 /nfs/dbraw/zinc/91/64/69/523916469.db2.gz RPWBRRIRGIVFAF-QHCPKHFHSA-N 1 0 441.620 1.923 50 10 IDCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734956 523919974 /nfs/dbraw/zinc/91/99/74/523919974.db2.gz OYUWEDXKPYYURA-XMMPIXPASA-N 1 0 449.599 1.790 50 10 IDCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022734372 523997926 /nfs/dbraw/zinc/99/79/26/523997926.db2.gz HIPTYSCGXPLEAA-JOCHJYFZSA-N 1 0 439.535 1.861 50 10 IDCARO COc1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c(O)c1 ZINC000012244793 524039631 /nfs/dbraw/zinc/03/96/31/524039631.db2.gz WHWZXGXYNLNGMK-DYESRHJHSA-N 1 0 443.548 1.900 50 10 IDCARO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022809459 524489808 /nfs/dbraw/zinc/48/98/08/524489808.db2.gz ZUDDMYKNGXILDR-HSZRJFAPSA-N 1 0 437.588 1.782 50 10 IDCARO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022809452 524490477 /nfs/dbraw/zinc/49/04/77/524490477.db2.gz ZUDDMYKNGXILDR-QHCPKHFHSA-N 1 0 437.588 1.782 50 10 IDCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022735816 525063814 /nfs/dbraw/zinc/06/38/14/525063814.db2.gz YKODXOSAHKZVFP-HSZRJFAPSA-N 1 0 444.601 1.955 50 10 IDCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 ZINC000032765668 556332822 /nfs/dbraw/zinc/33/28/22/556332822.db2.gz AVWMVDDCEJENOW-LJQANCHMSA-N 1 0 440.544 1.965 50 10 IDCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016022251 556575656 /nfs/dbraw/zinc/57/56/56/556575656.db2.gz IIPOPJAOWOLIQU-GXDMMTTBSA-N 1 0 435.480 1.859 50 10 IDCARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016024969 556576195 /nfs/dbraw/zinc/57/61/95/556576195.db2.gz RVFVSGVDHHYGIE-WDEBQMKVSA-N 1 0 435.480 1.859 50 10 IDCARO COc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1NC(C)=O ZINC000065362164 556834307 /nfs/dbraw/zinc/83/43/07/556834307.db2.gz UVNSTNZOUJXADZ-UHFFFAOYSA-N 1 0 432.546 1.884 50 10 IDCARO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000095482555 569374490 /nfs/dbraw/zinc/37/44/90/569374490.db2.gz SPAUHPJCDWZAAW-SFHVURJKSA-N 1 0 430.574 1.909 50 10 IDCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022594378 522246609 /nfs/dbraw/zinc/24/66/09/522246609.db2.gz JVFSDAKNQTYZEK-NRFANRHFSA-N 1 0 427.524 1.935 50 10 IDCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CC[NH+](C)CC2)cc1 ZINC000022666150 522247397 /nfs/dbraw/zinc/24/73/97/522247397.db2.gz PUJRYMNZERRTED-NRFANRHFSA-N 1 0 447.561 1.928 50 10 IDCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022594368 522248042 /nfs/dbraw/zinc/24/80/42/522248042.db2.gz RDPHAVDCCHMCHV-NRFANRHFSA-N 1 0 427.524 1.935 50 10 IDCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3nccs3)N3CC[NH+](C)CC3)ccc21 ZINC000022735315 523918641 /nfs/dbraw/zinc/91/86/41/523918641.db2.gz PGAJNMLFXFEPLB-IBGZPJMESA-N 1 0 442.589 1.569 50 10 IDCARO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)no1 ZINC000022735008 525108588 /nfs/dbraw/zinc/10/85/88/525108588.db2.gz HMOBQQGNIJACTG-HXUWFJFHSA-N 1 0 440.548 1.409 50 10 IDCARO CCOc1cccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1O ZINC000019744958 556891810 /nfs/dbraw/zinc/89/18/10/556891810.db2.gz HMCNSWQLKSTIGA-SFHVURJKSA-N 1 0 437.566 1.687 50 10 IDCARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)no1 ZINC000023857672 557376759 /nfs/dbraw/zinc/37/67/59/557376759.db2.gz NTIDSPWMVPPRGV-IBGZPJMESA-N 1 0 426.521 1.019 50 10 IDCARO Cn1c2cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2n2nccc2c1=O ZINC000065270652 569127584 /nfs/dbraw/zinc/12/75/84/569127584.db2.gz ALTDDAIRLGJAHD-UHFFFAOYSA-N 1 0 430.512 1.868 50 10 IDCARO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000095482556 569374473 /nfs/dbraw/zinc/37/44/73/569374473.db2.gz SPAUHPJCDWZAAW-GOSISDBHSA-N 1 0 430.574 1.909 50 10 IDCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N2CC[NH+](C)CC2)cc1 ZINC000022666145 522245573 /nfs/dbraw/zinc/24/55/73/522245573.db2.gz ZLTJMZBBKOUACS-OAQYLSRUSA-N 1 0 447.561 1.928 50 10 IDCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022809480 522248271 /nfs/dbraw/zinc/24/82/71/522248271.db2.gz SUVKQSFDDLQQKU-QFIPXVFZSA-N 1 0 441.551 1.613 50 10 IDCARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2)[C@H]1CCCO1 ZINC000020601772 526464294 /nfs/dbraw/zinc/46/42/94/526464294.db2.gz UEILCFSMNHMOGM-OAQYLSRUSA-N 1 0 438.576 1.774 50 10 IDCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000013573508 556523788 /nfs/dbraw/zinc/52/37/88/556523788.db2.gz IIPOPJAOWOLIQU-QWKGFIHWSA-N 1 0 435.480 1.859 50 10 IDCARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020566838 518705953 /nfs/dbraw/zinc/70/59/53/518705953.db2.gz RVFVSGVDHHYGIE-PAXILDSZSA-N 1 0 435.480 1.859 50 10 IDCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])N2CC[NH+](C)CC2)cc1 ZINC000022666133 522245317 /nfs/dbraw/zinc/24/53/17/522245317.db2.gz JAUYYHHMPMPLHQ-HXUWFJFHSA-N 1 0 447.561 1.928 50 10 IDCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022734959 523916360 /nfs/dbraw/zinc/91/63/60/523916360.db2.gz WRSNSXLOEDUPQZ-QFIPXVFZSA-N 1 0 427.593 1.533 50 10 IDCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022734261 523996586 /nfs/dbraw/zinc/99/65/86/523996586.db2.gz AHFHXCWYMUOAMU-JOCHJYFZSA-N 1 0 427.593 1.533 50 10 IDCARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016024967 556576216 /nfs/dbraw/zinc/57/62/16/556576216.db2.gz RVFVSGVDHHYGIE-RSOWOLOUSA-N 1 0 435.480 1.859 50 10 IDCARO COc1ccc(N2CCN(Cc3nc4nc(C)cc(N5CC[NH+](C)CC5)n4n3)CC2)cc1 ZINC000065311629 569133516 /nfs/dbraw/zinc/13/35/16/569133516.db2.gz JZTFXUYMBGGXQR-UHFFFAOYSA-N 1 0 436.564 1.515 50 10 IDCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022809486 522243119 /nfs/dbraw/zinc/24/31/19/522243119.db2.gz SUVKQSFDDLQQKU-JOCHJYFZSA-N 1 0 441.551 1.613 50 10 IDCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N2CC[NH+](C)CC2)cc1 ZINC000022666138 522249982 /nfs/dbraw/zinc/24/99/82/522249982.db2.gz ZLTJMZBBKOUACS-NRFANRHFSA-N 1 0 447.561 1.928 50 10 IDCARO CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734193 523999557 /nfs/dbraw/zinc/99/95/57/523999557.db2.gz UDTMCCQETPESQB-QHCPKHFHSA-N 1 0 435.572 1.400 50 10 IDCARO COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022809677 524583914 /nfs/dbraw/zinc/58/39/14/524583914.db2.gz RJYUROOHOLSBGY-NRFANRHFSA-N 1 0 439.560 1.805 50 10 IDCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000009347892 569524360 /nfs/dbraw/zinc/52/43/60/569524360.db2.gz IIPOPJAOWOLIQU-LVDCWYTKSA-N 1 0 435.480 1.859 50 10 IDCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)CC1 ZINC000001250505 132240902 /nfs/dbraw/zinc/24/09/02/132240902.db2.gz UZMMQWBFDUQTPU-QINSGFPZSA-N 1 0 429.571 1.976 50 10 IDCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022594281 522240902 /nfs/dbraw/zinc/24/09/02/522240902.db2.gz SHHKLHDIWGJALL-JOCHJYFZSA-N 1 0 429.609 1.996 50 10 IDCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccon3)N3CC[NH+](C)CC3)ccc21 ZINC000022735062 523920081 /nfs/dbraw/zinc/92/00/81/523920081.db2.gz VTJKFKBHNZLOGO-LJQANCHMSA-N 1 0 426.521 1.100 50 10 IDCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734363 523999664 /nfs/dbraw/zinc/99/96/64/523999664.db2.gz YYIFLWBKXHTFRY-QFIPXVFZSA-N 1 0 439.535 1.861 50 10 IDCARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016022009 556575419 /nfs/dbraw/zinc/57/54/19/556575419.db2.gz DCDSSPOKSXBREU-QJHDXQOESA-N 1 0 435.480 1.861 50 10 IDCARO CN(c1ccc(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1)S(C)(=O)=O ZINC000071375689 556880396 /nfs/dbraw/zinc/88/03/96/556880396.db2.gz SUKFQHYMWCLATO-UHFFFAOYSA-N 1 0 446.573 1.529 50 10 IDCARO CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022734258 523998636 /nfs/dbraw/zinc/99/86/36/523998636.db2.gz AHFHXCWYMUOAMU-QFIPXVFZSA-N 1 0 427.593 1.533 50 10 IDCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022594374 522242350 /nfs/dbraw/zinc/24/23/50/522242350.db2.gz RDPHAVDCCHMCHV-OAQYLSRUSA-N 1 0 427.524 1.935 50 10 IDCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)N2CC[NH+](C)CC2)cc1 ZINC000022594388 522247306 /nfs/dbraw/zinc/24/73/06/522247306.db2.gz QQINUSPFSARIOS-NRFANRHFSA-N 1 0 427.524 1.935 50 10 IDCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022734962 523920279 /nfs/dbraw/zinc/92/02/79/523920279.db2.gz WRSNSXLOEDUPQZ-JOCHJYFZSA-N 1 0 427.593 1.533 50 10 IDCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022809575 524461896 /nfs/dbraw/zinc/46/18/96/524461896.db2.gz DYQXRMRHXJEVNO-JOCHJYFZSA-N 1 0 439.560 1.805 50 10 IDCARO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734214 524490240 /nfs/dbraw/zinc/49/02/40/524490240.db2.gz MTZSZQVJYNRUQO-XMMPIXPASA-N 1 0 449.599 1.708 50 10 IDCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 ZINC000032765666 556332915 /nfs/dbraw/zinc/33/29/15/556332915.db2.gz AVWMVDDCEJENOW-IBGZPJMESA-N 1 0 440.544 1.965 50 10 IDCARO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)no1 ZINC000023857674 557376635 /nfs/dbraw/zinc/37/66/35/557376635.db2.gz NTIDSPWMVPPRGV-LJQANCHMSA-N 1 0 426.521 1.019 50 10 IDCARO COc1ccc(N2CC[NH+](CCCNC(=O)Cn3cnc4onc(C)c4c3=O)CC2)cc1 ZINC000064960558 569000482 /nfs/dbraw/zinc/00/04/82/569000482.db2.gz ZRBLWWQVJBPUBK-UHFFFAOYSA-N 1 0 440.504 1.030 50 10 IDCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC[NH+](C)C)N2CCc3ccccc3C2)cc1 ZINC000036683765 569132647 /nfs/dbraw/zinc/13/26/47/569132647.db2.gz IHGSQVVKESVBRA-QHCPKHFHSA-N 1 0 437.588 1.646 50 10 IDCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)CC1 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