Added 30 molecules from epoch 19818 for Q63380

Q63380_molecules.csv

@@ -4686,3 +4686,33 @@ rxn:4:222363:226511,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cnc4OCC4CC4)cnc4nc(-c5ccc(N6CCN(C)
 rxn:4:222363:226797,Cc1cc(CN2CCN(c3c(-c4cnc(-n5ccnc5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NTODTSJGYZLRGD-UHFFFAOYSA-N
 rxn:4:222363:226802,Cc1cc(CN2CCN(c3c(-c4cnc(-n5ccnc5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UOKBRPOWUXPCHC-UHFFFAOYSA-N
 rxn:4:222363:229016,Cc1cc(CN2CCN(c3c(-c4ccsc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IVTZVVKDNRQGHC-UHFFFAOYSA-N
+rxn:4:176281:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3cccc(Cl)c3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GNQDTPPGHPEPCR-UHFFFAOYSA-N
+rxn:4:176282:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3Cl)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,COKMWKYOPPPKSR-UHFFFAOYSA-N
+rxn:4:176283:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccc(Cl)cc3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RXBUVJZHWVGAKZ-UHFFFAOYSA-N
+rxn:4:176289:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccc(F)cc3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IYKBSPGMHGULHQ-UHFFFAOYSA-N
+rxn:4:176313:222423,COc1c(-c2ccc(COc3ccc4c(c3)OC(=CC3=Cc5ccccc5OC3C)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XVUOLYPEFVNTCO-UHFFFAOYSA-N
+rxn:4:178566:222423,COc1c(-c2ccc(-c3c(C)c4ccc(OC(C)=O)cc4oc3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZBJHAJQBLQRMOK-UHFFFAOYSA-N
+rxn:4:188018:222459,COc1cc(C2c3c(oc4ccc(-c5cc(C(=O)Nc6ccc([N+](=O)[O-])cc6)ccc5F)cc4c3=O)C(=O)N2C)cc(OC)c1OC,NMOMLORIWGLIFZ-UHFFFAOYSA-N
+rxn:4:202799:222466,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,YFAQGPCDJCEHPA-UHFFFAOYSA-N
+rxn:4:213451:223590,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZXSUXTADCBPQEY-UHFFFAOYSA-N
+rxn:4:213451:224291,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCOCC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HCTCETHIZDNJHN-UHFFFAOYSA-N
+rxn:4:214388:226278,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OCC(C)C)nc4C)c(OC)cc12)CC3,SUOPMRKLDBOIGS-UHFFFAOYSA-N
+rxn:4:219780:223890,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc6ncn(Cc7ccccc7)c6cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,SVSYDQGQGLFZOS-UHFFFAOYSA-N
+rxn:4:220239:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3c4c(nn3Cc3ccccc3)C(=O)N([C@H]3COc5ccccc5N(C)C3=O)CC4)c2)CC1,LTXUYAMOFGIZEQ-PMERELPUSA-N
+rxn:4:221273:222465,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,JUNMKAOKYJBUAG-UHFFFAOYSA-N
+rxn:4:221273:222846,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,PRPPKIANJAZXRX-UHFFFAOYSA-N
+rxn:4:221274:223699,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1,KGQSNYFPRYJTCM-UHFFFAOYSA-N
+rxn:4:221539:222848,CCc1cc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C2CCCNC2)n1,XLSHNHSXOQWATN-UHFFFAOYSA-N
+rxn:4:221570:223841,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)c1,FJZXMGOXRNSJTR-UHFFFAOYSA-N
+rxn:4:221782:222730,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCNCC2)n1,RSQBTLDRZRUESU-UHFFFAOYSA-N
+rxn:4:221790:222730,CCCc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)cc(C2CCNCC2)n1,ATSURBIFQWDCOK-UHFFFAOYSA-N
+rxn:4:221990:223569,COc1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,HYSORWRSIVIFBR-UHFFFAOYSA-N
+rxn:4:221995:223674,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(COc6cc(C(F)(F)F)ccc6Cl)cc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,NSBITBPMKUHKMS-UHFFFAOYSA-N
+rxn:4:221995:226692,Cc1noc(C)c1-c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)s1,LACQHGNZIGIWHB-UHFFFAOYSA-N
+rxn:4:222144:225231,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cnc(Cl)c(N3CCCCC3C)c2)cc1,AUMPZOAMDJJVJQ-UHFFFAOYSA-N
+rxn:4:222362:222628,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCC7)nc(C7CCCNC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,QLYNWPBHHVSZHH-UHFFFAOYSA-N
+rxn:4:222362:222740,CC(C)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)n1,MTFTVQHBMXCNQO-UHFFFAOYSA-N
+rxn:4:222362:224611,COCCn1cc(-c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cn1,UFVHTCMDXVAJDO-UHFFFAOYSA-N
+rxn:4:222362:226597,CC(C)Oc1c(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1F,BOXMMQNIPWZSDU-UHFFFAOYSA-N
+rxn:4:222363:223685,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)c(OCc5cccnc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CADRXCKCMWODTK-UHFFFAOYSA-N
+rxn:4:222363:229268,Cc1cc(CN2CCN(c3c(-c4cc(C)c(Cl)s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CTIJXYCFOHJHAC-UHFFFAOYSA-N